1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane

C34H64 — CID 123503704

IUPAC1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane
SMILESCCCCCCCC(CCCC1(C)CC1C)CC(CC1(C)CC(CC(C)CCC)C1)C1CC1C
InChIInChI=1S/C34H64/c1-8-10-11-12-13-16-29(17-14-18-34(7)22-28(34)5)21-31(32-20-27(32)4)25-33(6)23-30(24-33)19-26(3)15-9-2/h26-32H,8-25H2,1-7H3
InChIKeyGIHLOGIFVHPOGR-UHFFFAOYSA-N
MW472.89 g/mol
LogP11.47
Rot. Bonds19

About 1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane

1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane (PubChem CID 123503704) has the molecular formula C34H64 and a molecular weight of 472.89 g/mol. Its IUPAC name is 1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane.

Molecular Properties

Compound Name1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane
PubChem CID123503704
Molecular FormulaC34H64
Molecular Weight472.89 g/mol
Exact Mass472.50
IUPAC Name1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane
SMILESCCCCCCCC(CCCC1(C)CC1C)CC(CC1(C)CC(CC(C)CCC)C1)C1CC1C
InChIInChI=1S/C34H64/c1-8-10-11-12-13-16-29(17-14-18-34(7)22-28(34)5)21-31(32-20-27(32)4)25-33(6)23-30(24-33)19-26(3)15-9-2/h26-32H,8-25H2,1-7H3
InChIKeyGIHLOGIFVHPOGR-UHFFFAOYSA-N
XLogP11.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.89
LogP ≤ 511.47
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

1-(12-ethyl-6,7-dimethyl-4-propylhexadecyl)-1,2-dimethylcyclopropane
CID 123839197
1,3-bis(2-methylpentyl)cyclobutane
CID 143683640
1-methyl-2-(5-methyloctan-3-yl)cyclopropane
CID 123251321
2-methyltridecylcyclopropane
CID 123424034
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane
CID 123620432
6-methyl-8-propylpentadecane
CID 90954253
6-methyl-8-propylhexadecane
CID 91357269
8-methyl-6-propyltetradecane
CID 90964105
(10-methyl-2,4-dipropylhexadecyl)cyclobutane
CID 123528553
7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane?
The IUPAC name of 1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane (CID 123503704) is 1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane.
What is the SMILES notation for 1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane?
The canonical SMILES for 1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane is CCCCCCCC(CCCC1(C)CC1C)CC(CC1(C)CC(CC(C)CCC)C1)C1CC1C.
What is the InChIKey of 1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane?
The InChIKey is GIHLOGIFVHPOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64/c1-8-10-11-12-13-16-29(17-14-18-34(7)22-28(34)5)21-31(32-20-27(32)4)25-33(6)23-30(24-33)19-26(3)15-9-2/h26-32H,8-25H2,1-7H3.
What are the key properties of 1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane?
1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane has a molecular weight of 472.89 g/mol, XLogP of 11.47, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1,2-dimethylcyclopropyl)propyl]-2-(2-methylcyclopropyl)undecyl]-1-methyl-3-(2-methylpentyl)cyclobutane is sourced from PubChem (CID 123503704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).