[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol

C11H20O — CID 130848342

IUPAC[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol
SMILESC=C(C)[C@H]1CC[C@H](C)[C@H](CO)C1
InChIInChI=1S/C11H20O/c1-8(2)10-5-4-9(3)11(6-10)7-12/h9-12H,1,4-7H2,2-3H3/t9-,10-,11-/m0/s1
InChIKeyPQRLFAVXZWHPIU-DCAQKATOSA-N
MW168.28 g/mol
LogP2.61
Rot. Bonds2

About [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol

[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol (PubChem CID 130848342) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol
PubChem CID130848342
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol
SMILESC=C(C)[C@H]1CC[C@H](C)[C@H](CO)C1
InChIInChI=1S/C11H20O/c1-8(2)10-5-4-9(3)11(6-10)7-12/h9-12H,1,4-7H2,2-3H3/t9-,10-,11-/m0/s1
InChIKeyPQRLFAVXZWHPIU-DCAQKATOSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
[(1S,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methanol
CID 129321353
(2-methyl-5-prop-1-en-2-ylcyclopentyl)methanol
CID 12634580
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
CID 102064475
1-ethyl-4-prop-1-en-2-yl-2-propylcyclohexane
CID 166161434
[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
CID 146204600
1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane
CID 163268488
N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide
CID 102035360
1,4-dimethyl-2-(2-methylprop-2-enyl)cyclopentane
CID 123213374
cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane
CID 13138751
2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90735344

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol?
The IUPAC name of [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol (CID 130848342) is [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol.
What is the SMILES notation for [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol?
The canonical SMILES for [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol is C=C(C)[C@H]1CC[C@H](C)[C@H](CO)C1.
What is the InChIKey of [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol?
The InChIKey is PQRLFAVXZWHPIU-DCAQKATOSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10-5-4-9(3)11(6-10)7-12/h9-12H,1,4-7H2,2-3H3/t9-,10-,11-/m0/s1.
What are the key properties of [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol?
[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol has a molecular weight of 168.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol is sourced from PubChem (CID 130848342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).