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

C20H34O — CID 86705012

IUPAC8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol
SMILESCCCCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1CC#CCCCCCO
InChIInChI=1S/C20H34O/c1-2-3-8-11-17-14-19(17)16-20-15-18(20)12-9-6-4-5-7-10-13-21/h17-21H,2-5,7-8,10-16H2,1H3/t17-,18+,19-,20+/m1/s1
InChIKeyQECNEZDITCTILW-WCIQWLHISA-N
MW290.49 g/mol
LogP5.18
Rot. Bonds11

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

8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol (PubChem CID 86705012) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol.

Molecular Properties

Compound Name8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol
PubChem CID86705012
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol
SMILESCCCCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1CC#CCCCCCO
InChIInChI=1S/C20H34O/c1-2-3-8-11-17-14-19(17)16-20-15-18(20)12-9-6-4-5-7-10-13-21/h17-21H,2-5,7-8,10-16H2,1H3/t17-,18+,19-,20+/m1/s1
InChIKeyQECNEZDITCTILW-WCIQWLHISA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-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
heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
undec-5-yn-1-ol
CID 13113234
(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol
CID 118026476
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
undec-7-yn-1-ol
CID 10909966
1-propyl-2-undecylcyclopropane
CID 123636027

Frequently Asked Questions

What is the IUPAC name of 8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol?
The IUPAC name of 8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol (CID 86705012) is 8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol.
What is the SMILES notation for 8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol?
The canonical SMILES for 8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol is CCCCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1CC#CCCCCCO.
What is the InChIKey of 8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol?
The InChIKey is QECNEZDITCTILW-WCIQWLHISA-N. The full InChI is InChI=1S/C20H34O/c1-2-3-8-11-17-14-19(17)16-20-15-18(20)12-9-6-4-5-7-10-13-21/h17-21H,2-5,7-8,10-16H2,1H3/t17-,18+,19-,20+/m1/s1.
What are the key properties of 8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol?
8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol has a molecular weight of 290.49 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-yn-1-ol is sourced from PubChem (CID 86705012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).