1,3-dimethyl-1-pentylcyclobutane;ethane

C19H46 — CID 171802014

IUPAC1,3-dimethyl-1-pentylcyclobutane;ethane
SMILESCC.CC.CC.CC.CCCCCC1(C)CC(C)C1
InChIInChI=1S/C11H22.4C2H6/c1-4-5-6-7-11(3)8-10(2)9-11;4*1-2/h10H,4-9H2,1-3H3;4*1-2H3
InChIKeyDECJOZSHIAWOSJ-UHFFFAOYSA-N
MW274.58 g/mol
LogP8.11
Rot. Bonds4

About 1,3-dimethyl-1-pentylcyclobutane;ethane

1,3-dimethyl-1-pentylcyclobutane;ethane (PubChem CID 171802014) has the molecular formula C19H46 and a molecular weight of 274.58 g/mol. Its IUPAC name is 1,3-dimethyl-1-pentylcyclobutane;ethane.

Molecular Properties

Compound Name1,3-dimethyl-1-pentylcyclobutane;ethane
PubChem CID171802014
Molecular FormulaC19H46
Molecular Weight274.58 g/mol
Exact Mass274.36
IUPAC Name1,3-dimethyl-1-pentylcyclobutane;ethane
SMILESCC.CC.CC.CC.CCCCCC1(C)CC(C)C1
InChIInChI=1S/C11H22.4C2H6/c1-4-5-6-7-11(3)8-10(2)9-11;4*1-2/h10H,4-9H2,1-3H3;4*1-2H3
InChIKeyDECJOZSHIAWOSJ-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.58
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Pristane
CID 15979
Squalane
CID 8089
Phytane
CID 12523
(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
6-Propyltridecane
CID 521567
3-Methylpentadecane
CID 17899
2,6,10-Trimethylpentadecane
CID 19775
7-Methylheptadecane
CID 30398
3-Methylheptadecane
CID 94321
Heptadecane, 5-methyl-
CID 185593
3-Methylheneicosane
CID 522120
5-Propyltridecane
CID 41310

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-pentylcyclobutane;ethane?
The IUPAC name of 1,3-dimethyl-1-pentylcyclobutane;ethane (CID 171802014) is 1,3-dimethyl-1-pentylcyclobutane;ethane.
What is the SMILES notation for 1,3-dimethyl-1-pentylcyclobutane;ethane?
The canonical SMILES for 1,3-dimethyl-1-pentylcyclobutane;ethane is CC.CC.CC.CC.CCCCCC1(C)CC(C)C1.
What is the InChIKey of 1,3-dimethyl-1-pentylcyclobutane;ethane?
The InChIKey is DECJOZSHIAWOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.4C2H6/c1-4-5-6-7-11(3)8-10(2)9-11;4*1-2/h10H,4-9H2,1-3H3;4*1-2H3.
What are the key properties of 1,3-dimethyl-1-pentylcyclobutane;ethane?
1,3-dimethyl-1-pentylcyclobutane;ethane has a molecular weight of 274.58 g/mol, XLogP of 8.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-pentylcyclobutane;ethane is sourced from PubChem (CID 171802014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).