[(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol

C14H26O — CID 134854831

IUPAC[(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol
SMILESC=C(C)[C@@]1(CCCCCC)C(C)[C@H]1CO
InChIInChI=1S/C14H26O/c1-5-6-7-8-9-14(11(2)3)12(4)13(14)10-15/h12-13,15H,2,5-10H2,1,3-4H3/t12?,13-,14+/m1/s1
InChIKeyXTKHRSONXCHBFP-IUZLNWEFSA-N
MW210.36 g/mol
LogP3.78
Rot. Bonds7

About [(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol

[(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol (PubChem CID 134854831) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is [(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol
PubChem CID134854831
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name[(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol
SMILESC=C(C)[C@@]1(CCCCCC)C(C)[C@H]1CO
InChIInChI=1S/C14H26O/c1-5-6-7-8-9-14(11(2)3)12(4)13(14)10-15/h12-13,15H,2,5-10H2,1,3-4H3/t12?,13-,14+/m1/s1
InChIKeyXTKHRSONXCHBFP-IUZLNWEFSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.78
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'}

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Related Compounds

3,7-Dimethyl-7-octen-1-ol
CID 543323
Rhodinol
CID 81263
Grandisol
CID 169202
2,6-Dimethyl-6-hepten-1-ol
CID 169818
Cyclopropanemethanol, 2-(1,4-dimethyl-3-penten-1-yl)-1-methyl-
CID 89239667
Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-
CID 85800
p-Menth-1(7)-en-9-ol
CID 564610
Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, (1R-cis)-
CID 6432285
Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, (1R,2S)-rel-
CID 117314
[(1R,4S,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undecanyl]methanol
CID 10036514
Grandisol, (-)-
CID 10964732
2-[(1S,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl]ethan-1-ol
CID 5748162

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol (CID 134854831) is [(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol is C=C(C)[C@@]1(CCCCCC)C(C)[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol?
The InChIKey is XTKHRSONXCHBFP-IUZLNWEFSA-N. The full InChI is InChI=1S/C14H26O/c1-5-6-7-8-9-14(11(2)3)12(4)13(14)10-15/h12-13,15H,2,5-10H2,1,3-4H3/t12?,13-,14+/m1/s1.
What are the key properties of [(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol?
[(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol has a molecular weight of 210.36 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-hexyl-3-methyl-2-prop-1-en-2-ylcyclopropyl]methanol is sourced from PubChem (CID 134854831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).