(2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one

C14H24O2 — CID 102505766

IUPAC(2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one
SMILESC=C[C@H](CCC(C)C)[C@]1(O)CCCCC1=O
InChIInChI=1S/C14H24O2/c1-4-12(9-8-11(2)3)14(16)10-6-5-7-13(14)15/h4,11-12,16H,1,5-10H2,2-3H3/t12-,14-/m1/s1
InChIKeyVSBCKLYUAWIHMU-TZMCWYRMSA-N
MW224.34 g/mol
LogP3.10
Rot. Bonds5

About (2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one

(2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one (PubChem CID 102505766) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one
PubChem CID102505766
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one
SMILESC=C[C@H](CCC(C)C)[C@]1(O)CCCCC1=O
InChIInChI=1S/C14H24O2/c1-4-12(9-8-11(2)3)14(16)10-6-5-7-13(14)15/h4,11-12,16H,1,5-10H2,2-3H3/t12-,14-/m1/s1
InChIKeyVSBCKLYUAWIHMU-TZMCWYRMSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
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 (2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one?
The IUPAC name of (2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one (CID 102505766) is (2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one is C=C[C@H](CCC(C)C)[C@]1(O)CCCCC1=O.
What is the InChIKey of (2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one?
The InChIKey is VSBCKLYUAWIHMU-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-12(9-8-11(2)3)14(16)10-6-5-7-13(14)15/h4,11-12,16H,1,5-10H2,2-3H3/t12-,14-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one?
(2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(3S)-6-methylhept-1-en-3-yl]cyclohexan-1-one is sourced from PubChem (CID 102505766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).