trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol

C10H18O — CID 135054853

IUPACtrans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol
SMILESC=C1CC[C@@H](C(C)C)[C@H](O)C1
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7,9-11H,3-6H2,1-2H3/t9-,10+/m0/s1
InChIKeyKSMRJNMZQHIJFJ-VHSXEESVSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

About trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol

trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol (PubChem CID 135054853) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol
PubChem CID135054853
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nametrans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol
SMILESC=C1CC[C@@H](C(C)C)[C@H](O)C1
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7,9-11H,3-6H2,1-2H3/t9-,10+/m0/s1
InChIKeyKSMRJNMZQHIJFJ-VHSXEESVSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(-)-Isopulegol
CID 170833
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
CID 24585
3,7-Dimethyl-7-octen-1-ol
CID 543323
2-Methyl-5-(1-methylethenyl)cyclohexanol
CID 12072
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)-rel-
CID 443163
Rhodinol
CID 81263
Dihydrocarveol, (+-)-
CID 89755
(1S,2R,5R)-2-Methyl-5-(1-methylethenyl)cyclohexanol
CID 443164
(1S,2S,4R)-iso-dihydrocarveol
CID 443165
Delta-Terpineol
CID 81722
Neoisopulegol
CID 6553885
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-rel-
CID 443166

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol (CID 135054853) is trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol is C=C1CC[C@@H](C(C)C)[C@H](O)C1.
What is the InChIKey of trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is KSMRJNMZQHIJFJ-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7,9-11H,3-6H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol?
trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-5-methylidene-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 135054853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).