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

C11H20O — CID 146204600

IUPAC[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
SMILESC=C(C)[C@H]1CC[C@@H](C)CC1CO
InChIInChI=1S/C11H20O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h9-12H,1,4-7H2,2-3H3/t9-,10?,11-/m1/s1
InChIKeyLURKLLBLHRMHJQ-GLYLRITDSA-N
MW168.28 g/mol
LogP2.61
Rot. Bonds2

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

[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol (PubChem CID 146204600) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is [(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
PubChem CID146204600
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
SMILESC=C(C)[C@H]1CC[C@@H](C)CC1CO
InChIInChI=1S/C11H20O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h9-12H,1,4-7H2,2-3H3/t9-,10?,11-/m1/s1
InChIKeyLURKLLBLHRMHJQ-GLYLRITDSA-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'}

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Related Compounds

2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid
CID 54375426
2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]acetaldehyde
CID 173016577
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol
CID 91389809
[(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
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane
CID 118401565
[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol
CID 130848342
1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane
CID 123864296

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol?
The IUPAC name of [(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol (CID 146204600) is [(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol.
What is the SMILES notation for [(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol?
The canonical SMILES for [(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol is C=C(C)[C@H]1CC[C@@H](C)CC1CO.
What is the InChIKey of [(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol?
The InChIKey is LURKLLBLHRMHJQ-GLYLRITDSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h9-12H,1,4-7H2,2-3H3/t9-,10?,11-/m1/s1.
What are the key properties of [(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol?
[(2S,5R)-5-methyl-2-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 [(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol is sourced from PubChem (CID 146204600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).