(1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol

C10H18O — CID 170847979

IUPAC(1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)[C@@]1(O)C=C[C@H](C)CC1
InChIInChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10+/m0/s1
InChIKeyBJOGDSZCIIOXEK-VHSXEESVSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

About (1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol

(1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 170847979) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol
PubChem CID170847979
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)[C@@]1(O)C=C[C@H](C)CC1
InChIInChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10+/m0/s1
InChIKeyBJOGDSZCIIOXEK-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

(L)-alpha-terpineol
CID 443162
Alpha-Terpineol
CID 17100
Terpinen-4-ol
CID 11230
Bisabolol
CID 1549992
Levomenol
CID 442343
(+)-alpha-Terpineol
CID 442501
beta-Bisabolol
CID 12300146
alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
CID 10586
alpha-Bisabolol, (+)-epi-
CID 1201551
4-Terpineol, (+)-
CID 2724161
(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11105550
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4R)-rel-
CID 122485

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol (CID 170847979) is (1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol is CC(C)[C@@]1(O)C=C[C@H](C)CC1.
What is the InChIKey of (1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is BJOGDSZCIIOXEK-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol?
(1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-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 (1R,4R)-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 170847979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).