5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol

C18H36O — CID 10923562

IUPAC5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
SMILESCCCCCCCCCC[C@H]1C[C@H]1CCCCCO
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-10-13-17-16-18(17)14-11-9-12-15-19/h17-19H,2-16H2,1H3/t17-,18+/m0/s1
InChIKeyLQVOEQUBVNTCDV-ZWKOTPCHSA-N
MW268.48 g/mol
LogP5.71
Rot. Bonds14

About 5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol

5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol (PubChem CID 10923562) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol.

Molecular Properties

Compound Name5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
PubChem CID10923562
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
SMILESCCCCCCCCCC[C@H]1C[C@H]1CCCCCO
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-10-13-17-16-18(17)14-11-9-12-15-19/h17-19H,2-16H2,1H3/t17-,18+/m0/s1
InChIKeyLQVOEQUBVNTCDV-ZWKOTPCHSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
1,2-dioctylcyclopropane
CID 21337627
1-hexyl-2-undecylcyclopropane
CID 58049498
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
1-propyl-2-undecylcyclopropane
CID 123636027
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
2-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956
8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol
CID 86705012
(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol
CID 118026476
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine
CID 174176703

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol?
The IUPAC name of 5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol (CID 10923562) is 5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol.
What is the SMILES notation for 5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol?
The canonical SMILES for 5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol is CCCCCCCCCC[C@H]1C[C@H]1CCCCCO.
What is the InChIKey of 5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol?
The InChIKey is LQVOEQUBVNTCDV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-10-13-17-16-18(17)14-11-9-12-15-19/h17-19H,2-16H2,1H3/t17-,18+/m0/s1.
What are the key properties of 5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol?
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol has a molecular weight of 268.48 g/mol, XLogP of 5.71, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol is sourced from PubChem (CID 10923562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).