(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol

C17H32O2 — CID 165066222

IUPAC(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@H](O)C1.C[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H18O.C7H14O/c1-7(2)9-5-4-8(3)10(11)6-9;1-6-4-2-3-5-7(6)8/h8-11H,1,4-6H2,2-3H3;6-8H,2-5H2,1H3/t8-,9-,10-;6-,7-/m11/s1
InChIKeyRZVXPUBLLMLDSP-KEOFBJDISA-N
MW268.44 g/mol
LogP3.92
Rot. Bonds1

About (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol

(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol (PubChem CID 165066222) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
PubChem CID165066222
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@H](O)C1.C[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H18O.C7H14O/c1-7(2)9-5-4-8(3)10(11)6-9;1-6-4-2-3-5-7(6)8/h8-11H,1,4-6H2,2-3H3;6-8H,2-5H2,1H3/t8-,9-,10-;6-,7-/m11/s1
InChIKeyRZVXPUBLLMLDSP-KEOFBJDISA-N
XLogP3.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol?
The IUPAC name of (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol (CID 165066222) is (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@@H](C)[C@H](O)C1.C[C@@H]1CCCC[C@H]1O.
What is the InChIKey of (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol?
The InChIKey is RZVXPUBLLMLDSP-KEOFBJDISA-N. The full InChI is InChI=1S/C10H18O.C7H14O/c1-7(2)9-5-4-8(3)10(11)6-9;1-6-4-2-3-5-7(6)8/h8-11H,1,4-6H2,2-3H3;6-8H,2-5H2,1H3/t8-,9-,10-;6-,7-/m11/s1.
What are the key properties of (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol?
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 165066222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).