[(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol

C16H28O — CID 161489982

IUPAC[(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol
SMILESCC(C)/C1=C(\C(C)C)CC[C@H]2C(CO)[C@H]2CC1
InChIInChI=1S/C16H28O/c1-10(2)12-5-7-14-15(16(14)9-17)8-6-13(12)11(3)4/h10-11,14-17H,5-9H2,1-4H3/b13-12-/t14-,15+,16?
InChIKeyWFLZGSGQJVZIAI-DFMJVRNZSA-N
MW236.40 g/mol
LogP4.02
Rot. Bonds3

About [(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol

[(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol (PubChem CID 161489982) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is [(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol.

Molecular Properties

Compound Name[(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol
PubChem CID161489982
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name[(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol
SMILESCC(C)/C1=C(\C(C)C)CC[C@H]2C(CO)[C@H]2CC1
InChIInChI=1S/C16H28O/c1-10(2)12-5-7-14-15(16(14)9-17)8-6-13(12)11(3)4/h10-11,14-17H,5-9H2,1-4H3/b13-12-/t14-,15+,16?
InChIKeyWFLZGSGQJVZIAI-DFMJVRNZSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol with MolForge

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Related Compounds

[(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol
CID 130650941
[(1S,8R)-9-bicyclo[6.1.0]nonanyl]methanol
CID 130621162
[(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methyl N-(7-methyloctyl)carbamate
CID 172528266
1,2,4-tri(propan-2-yl)cyclohexene
CID 177269639
[(4R,6S)-12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanol
CID 126546233
2-bicyclo[1.1.0]butanylmethanol
CID 73001174
5-methyl-2-propan-2-ylcyclopentene-1-thiol
CID 45095992
(2-propan-2-ylcyclopenten-1-yl)methanol
CID 153463794
6-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 154519615
(1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol
CID 131201890
cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
CID 162070129
[(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol
CID 88981977

Frequently Asked Questions

What is the IUPAC name of [(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol?
The IUPAC name of [(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol (CID 161489982) is [(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol.
What is the SMILES notation for [(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol?
The canonical SMILES for [(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol is CC(C)/C1=C(\C(C)C)CC[C@H]2C(CO)[C@H]2CC1.
What is the InChIKey of [(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol?
The InChIKey is WFLZGSGQJVZIAI-DFMJVRNZSA-N. The full InChI is InChI=1S/C16H28O/c1-10(2)12-5-7-14-15(16(14)9-17)8-6-13(12)11(3)4/h10-11,14-17H,5-9H2,1-4H3/b13-12-/t14-,15+,16?.
What are the key properties of [(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol?
[(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol has a molecular weight of 236.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4Z,8S)-4,5-di(propan-2-yl)-9-bicyclo[6.1.0]non-4-enyl]methanol is sourced from PubChem (CID 161489982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).