1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane

C23H46 — CID 123606512

IUPAC1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane
SMILESCCCCCCCCCC(CCCC)C1(C)C(C(C)C)C1(C)C
InChIInChI=1S/C23H46/c1-8-10-12-13-14-15-16-18-20(17-11-9-2)23(7)21(19(3)4)22(23,5)6/h19-21H,8-18H2,1-7H3
InChIKeyWPSRZPIBSHWEJW-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.25
Rot. Bonds13

About 1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane

1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane (PubChem CID 123606512) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane.

Molecular Properties

Compound Name1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane
PubChem CID123606512
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane
SMILESCCCCCCCCCC(CCCC)C1(C)C(C(C)C)C1(C)C
InChIInChI=1S/C23H46/c1-8-10-12-13-14-15-16-18-20(17-11-9-2)23(7)21(19(3)4)22(23,5)6/h19-21H,8-18H2,1-7H3
InChIKeyWPSRZPIBSHWEJW-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.25
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-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine
CID 115835573
1,1,2-trimethyl-3-undecan-2-ylcyclopropane
CID 123706560
5,17-dimethylnonacosane
CID 56936184
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,15-dimethylpentatriacontane
CID 6430641
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine
CID 115837427
5,9-dimethyloctacosane
CID 86017569

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane?
The IUPAC name of 1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane (CID 123606512) is 1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane.
What is the SMILES notation for 1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane?
The canonical SMILES for 1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane is CCCCCCCCCC(CCCC)C1(C)C(C(C)C)C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane?
The InChIKey is WPSRZPIBSHWEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-8-10-12-13-14-15-16-18-20(17-11-9-2)23(7)21(19(3)4)22(23,5)6/h19-21H,8-18H2,1-7H3.
What are the key properties of 1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane?
1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane has a molecular weight of 322.62 g/mol, XLogP of 8.25, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane is sourced from PubChem (CID 123606512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).