1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol

C16H30O — CID 71165998

IUPAC1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol
SMILESCCCCC(C)C[C@H]1C=CC[C@@H](CC(C)O)C1
InChIInChI=1S/C16H30O/c1-4-5-7-13(2)10-15-8-6-9-16(12-15)11-14(3)17/h6,8,13-17H,4-5,7,9-12H2,1-3H3/t13?,14?,15-,16+/m1/s1
InChIKeyAWEPQCZEENFLPW-FJBKBRRZSA-N
MW238.41 g/mol
LogP4.56
Rot. Bonds7

About 1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol

1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol (PubChem CID 71165998) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol
PubChem CID71165998
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol
SMILESCCCCC(C)C[C@H]1C=CC[C@@H](CC(C)O)C1
InChIInChI=1S/C16H30O/c1-4-5-7-13(2)10-15-8-6-9-16(12-15)11-14(3)17/h6,8,13-17H,4-5,7,9-12H2,1-3H3/t13?,14?,15-,16+/m1/s1
InChIKeyAWEPQCZEENFLPW-FJBKBRRZSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol with MolForge

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Related Compounds

5-(2-methylpropyl)cyclohex-3-en-1-amine
CID 122592114
5-(3-methylheptyl)cyclohexa-1,3-diene
CID 23281661
1,3-diethylcyclohexane;3,5-diethylcyclohexene;1-ethyl-4-methylcyclohexane;hexane;2-methylhexane;pentane
CID 158773132
2-methyltridecylcyclopropane
CID 123424034
2-(2-methylhexyl)oxirane
CID 91241308
benzene;hexan-2-ol
CID 174579547
hexan-2-ol;zirconium
CID 174835617
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430
1,3-bis(2-methylpentyl)cyclobutane
CID 143683640
2-methylhexan-1-ol
CID 159157237
hexan-2-ol;pentan-2-ol
CID 88680973
3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
CID 142554560

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol?
The IUPAC name of 1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol (CID 71165998) is 1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol?
The canonical SMILES for 1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol is CCCCC(C)C[C@H]1C=CC[C@@H](CC(C)O)C1.
What is the InChIKey of 1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol?
The InChIKey is AWEPQCZEENFLPW-FJBKBRRZSA-N. The full InChI is InChI=1S/C16H30O/c1-4-5-7-13(2)10-15-8-6-9-16(12-15)11-14(3)17/h6,8,13-17H,4-5,7,9-12H2,1-3H3/t13?,14?,15-,16+/m1/s1.
What are the key properties of 1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol?
1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol has a molecular weight of 238.41 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol is sourced from PubChem (CID 71165998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).