trans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol

C10H18O — CID 156807995

IUPACtrans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol
SMILESC=C1C[C@H](C(C)C)CC[C@H]1O
InChIInChI=1S/C10H18O/c1-7(2)9-4-5-10(11)8(3)6-9/h7,9-11H,3-6H2,1-2H3/t9-,10-/m1/s1
InChIKeyCEWBJWIZADFYNR-NXEZZACHSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

About trans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol

trans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol (PubChem CID 156807995) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is trans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol
PubChem CID156807995
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nametrans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol
SMILESC=C1C[C@H](C(C)C)CC[C@H]1O
InChIInChI=1S/C10H18O/c1-7(2)9-4-5-10(11)8(3)6-9/h7,9-11H,3-6H2,1-2H3/t9-,10-/m1/s1
InChIKeyCEWBJWIZADFYNR-NXEZZACHSA-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

2-methylidene-5-propan-2-ylcyclohexan-1-ol
CID 12642437
4-propan-2-ylcyclohexan-1-ol
CID 159817143
propan-2-ylcyclopropane;hydroiodide
CID 162314014
2-methylidene-1,3-di(propan-2-yl)cyclopentane
CID 58567630
4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
CID 168701862
cis-(1R,4R)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 11105555
cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 154825120
2-methylidene-1,4-di(propan-2-yl)pyrrolidine
CID 130396071
trans-(2R,4R)-2-methyl-1-methylidene-4-propan-2-ylcyclohexane
CID 6850748
(1S,5Z,7R)-4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol
CID 98177931
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687

Frequently Asked Questions

What is the IUPAC name of trans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol (CID 156807995) is trans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol is C=C1C[C@H](C(C)C)CC[C@H]1O.
What is the InChIKey of trans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is CEWBJWIZADFYNR-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)9-4-5-10(11)8(3)6-9/h7,9-11H,3-6H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol?
trans-(1R,4R)-2-methylidene-4-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,4R)-2-methylidene-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 156807995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).