(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol

C20H36O — CID 118026476

IUPAC(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol
SMILESCCCCC[C@H]1C[C@H]1C[C@H]1C[C@H]1C/C=C\CCCCCO
InChIInChI=1S/C20H36O/c1-2-3-8-11-17-14-19(17)16-20-15-18(20)12-9-6-4-5-7-10-13-21/h6,9,17-21H,2-5,7-8,10-16H2,1H3/b9-6-/t17-,18+,19-,20+/m0/s1
InChIKeyVYWCTRXXZARILT-HGNOZJRWSA-N
MW292.51 g/mol
LogP5.73
Rot. Bonds13

About (Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol

(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol (PubChem CID 118026476) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol.

Molecular Properties

Compound Name(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol
PubChem CID118026476
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol
SMILESCCCCC[C@H]1C[C@H]1C[C@H]1C[C@H]1C/C=C\CCCCCO
InChIInChI=1S/C20H36O/c1-2-3-8-11-17-14-19(17)16-20-15-18(20)12-9-6-4-5-7-10-13-21/h6,9,17-21H,2-5,7-8,10-16H2,1H3/b9-6-/t17-,18+,19-,20+/m0/s1
InChIKeyVYWCTRXXZARILT-HGNOZJRWSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol with MolForge

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Related Compounds

5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
2-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956
methyl 8-[2-[(Z)-oct-2-enyl]cyclopropyl]octanoate
CID 69201087
methyl 8-(2-oct-2-enylcyclopropyl)octanoate
CID 69201092
3,3-dimethyl-9-[2-[(Z)-oct-2-enyl]cyclopropyl]nonan-2-one
CID 167614180
hexacos-17-en-1-ol
CID 139697197
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
(E)-henicos-12-en-1-ol
CID 19702453
octadec-9-en-1-ol
CID 8927

Frequently Asked Questions

What is the IUPAC name of (Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol?
The IUPAC name of (Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol (CID 118026476) is (Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol.
What is the SMILES notation for (Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol?
The canonical SMILES for (Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol is CCCCC[C@H]1C[C@H]1C[C@H]1C[C@H]1C/C=C\CCCCCO.
What is the InChIKey of (Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol?
The InChIKey is VYWCTRXXZARILT-HGNOZJRWSA-N. The full InChI is InChI=1S/C20H36O/c1-2-3-8-11-17-14-19(17)16-20-15-18(20)12-9-6-4-5-7-10-13-21/h6,9,17-21H,2-5,7-8,10-16H2,1H3/b9-6-/t17-,18+,19-,20+/m0/s1.
What are the key properties of (Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol?
(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol has a molecular weight of 292.51 g/mol, XLogP of 5.73, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol is sourced from PubChem (CID 118026476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).