(1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde

C9H14O — CID 76969259

IUPAC(1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde
SMILESCC1=C[C@H](C)C[C@@H](C=O)C1
InChIInChI=1S/C9H14O/c1-7-3-8(2)5-9(4-7)6-10/h3,6-7,9H,4-5H2,1-2H3/t7-,9+/m0/s1
InChIKeyZHDQGHCZWWDMRS-IONNQARKSA-N
MW138.21 g/mol
LogP2.18
Rot. Bonds1

About (1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde

(1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde (PubChem CID 76969259) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde
PubChem CID76969259
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde
SMILESCC1=C[C@H](C)C[C@@H](C=O)C1
InChIInChI=1S/C9H14O/c1-7-3-8(2)5-9(4-7)6-10/h3,6-7,9H,4-5H2,1-2H3/t7-,9+/m0/s1
InChIKeyZHDQGHCZWWDMRS-IONNQARKSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1,3-dimethylcyclobutene
CID 58737300
(E)-3-(3,5-dimethylcyclohex-3-en-1-yl)-2-phenylprop-2-enoic acid
CID 103277171
(1R,5R,6R)-3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
CID 76966126
3-methyl-5-oxocyclohex-3-ene-1-carbaldehyde
CID 59746098
(1R,5R,6S)-3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
CID 76966124
(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275915
(1S,2S,6S)-2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde
CID 7373245
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
CID 103276172
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186
2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
CID 103277720
4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbaldehyde
CID 156861893

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde (CID 76969259) is (1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde is CC1=C[C@H](C)C[C@@H](C=O)C1.
What is the InChIKey of (1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde?
The InChIKey is ZHDQGHCZWWDMRS-IONNQARKSA-N. The full InChI is InChI=1S/C9H14O/c1-7-3-8(2)5-9(4-7)6-10/h3,6-7,9H,4-5H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of (1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde?
(1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde has a molecular weight of 138.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 76969259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).