3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane)

C116H234N4O3S3 — CID 162082126

About 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane)

3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane) (PubChem CID 162082126) has the molecular formula C116H234N4O3S3 and a molecular weight of 1829.37 g/mol. Its IUPAC name is 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane).

Molecular Properties

• Compound Name: 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane)
• PubChem CID: 162082126
• Molecular Formula: C116H234N4O3S3
• Molecular Weight: 1829.37 g/mol
• Exact Mass: 1827.74
• IUPAC Name: 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane)
• SMILES: CC1(C)CC1.CC1(C)CC=CC1.CC1(C)CCC1.CC1(C)CCCC1.CC1(C)CCCCC1.CC1(C)CCCCCC1.CC1(C)CCCCCC1.CC1(C)CCCCNC1.CC1(C)CCNC1.CC1(C)CCNC1.CC1(C)CCNCC1.CC1(C)CCOC1.CC1(C)CCOC1.CC1(C)CCOCC1.CC1(C)CCSC1.CC1(C)CCSC1.CC1(C)CCSCC1
• InChI: InChI=1S/2C9H18.C8H17N.C8H16.C7H15N.C7H14O.C7H14S.C7H14.C7H12.2C6H13N.2C6H12O.2C6H12S.C6H12.C5H10/c2*1-9(2)7-5-3-4-6-8-9;1-8(2)5-3-4-6-9-7-8;1-8(2)6-4-3-5-7-8;3*1-7(2)3-5-8-6-4-7;2*1-7(2)5-3-4-6-7;6*1-6(2)3-4-7-5-6;1-6(2)4-3-5-6;1-5(2)3-4-5/h2*3-8H2,1-2H3;9H,3-7H2,1-2H3;3-7H2,1-2H3;8H,3-6H2,1-2H3;2*3-6H2,1-2H3;3-6H2,1-2H3;3-4H,5-6H2,1-2H3;2*7H,3-5H2,1-2H3;4*3-5H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3
• InChIKey: ZCMBXXHJDKIZOP-UHFFFAOYSA-N
• XLogP: 35.38
• TPSA: 75.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1829.37
LogP ≤ 5	35.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane)?

The IUPAC name of 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane) (CID 162082126) is 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane).

What is the SMILES notation for 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane)?

The canonical SMILES for 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane) is CC1(C)CC1.CC1(C)CC=CC1.CC1(C)CCC1.CC1(C)CCCC1.CC1(C)CCCCC1.CC1(C)CCCCCC1.CC1(C)CCCCCC1.CC1(C)CCCCNC1.CC1(C)CCNC1.CC1(C)CCNC1.CC1(C)CCNCC1.CC1(C)CCOC1.CC1(C)CCOC1.CC1(C)CCOCC1.CC1(C)CCSC1.CC1(C)CCSC1.CC1(C)CCSCC1.

What is the InChIKey of 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane)?

The InChIKey is ZCMBXXHJDKIZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18.C8H17N.C8H16.C7H15N.C7H14O.C7H14S.C7H14.C7H12.2C6H13N.2C6H12O.2C6H12S.C6H12.C5H10/c2*1-9(2)7-5-3-4-6-8-9;1-8(2)5-3-4-6-9-7-8;1-8(2)6-4-3-5-7-8;3*1-7(2)3-5-8-6-4-7;2*1-7(2)5-3-4-6-7;6*1-6(2)3-4-7-5-6;1-6(2)4-3-5-6;1-5(2)3-4-5/h2*3-8H2,1-2H3;9H,3-7H2,1-2H3;3-7H2,1-2H3;8H,3-6H2,1-2H3;2*3-6H2,1-2H3;3-6H2,1-2H3;3-4H,5-6H2,1-2H3;2*7H,3-5H2,1-2H3;4*3-5H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3.

What are the key properties of 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane)?

3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane) has a molecular weight of 1829.37 g/mol, XLogP of 35.38, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethylazepane;1,1-dimethylcyclobutane;bis(1,1-dimethylcycloheptane);1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;4,4-dimethylcyclopentene;1,1-dimethylcyclopropane;4,4-dimethyloxane;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(3,3-dimethylpyrrolidine);4,4-dimethylthiane;bis(3,3-dimethylthiolane) is sourced from PubChem (CID 162082126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).