(4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde

C15H24O2 — CID 162936027

IUPAC(4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde
SMILESCC(C)=CCC[C@@](C)(O)[C@@H]1CC=C(C=O)CC1
InChIInChI=1S/C15H24O2/c1-12(2)5-4-10-15(3,17)14-8-6-13(11-16)7-9-14/h5-6,11,14,17H,4,7-10H2,1-3H3/t14-,15-/m1/s1
InChIKeyZNAQPVISWOZOCF-HUUCEWRRSA-N
MW236.35 g/mol
LogP3.41
Rot. Bonds5

About (4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde

(4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde (PubChem CID 162936027) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde
PubChem CID162936027
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde
SMILESCC(C)=CCC[C@@](C)(O)[C@@H]1CC=C(C=O)CC1
InChIInChI=1S/C15H24O2/c1-12(2)5-4-10-15(3,17)14-8-6-13(11-16)7-9-14/h5-6,11,14,17H,4,7-10H2,1-3H3/t14-,15-/m1/s1
InChIKeyZNAQPVISWOZOCF-HUUCEWRRSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde?
The IUPAC name of (4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde (CID 162936027) is (4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde.
What is the SMILES notation for (4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde?
The canonical SMILES for (4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde is CC(C)=CCC[C@@](C)(O)[C@@H]1CC=C(C=O)CC1.
What is the InChIKey of (4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde?
The InChIKey is ZNAQPVISWOZOCF-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)5-4-10-15(3,17)14-8-6-13(11-16)7-9-14/h5-6,11,14,17H,4,7-10H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde?
(4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde has a molecular weight of 236.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohexene-1-carbaldehyde is sourced from PubChem (CID 162936027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).