(3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde

C11H16O — CID 101236983

IUPAC(3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde
SMILESCC/C=C1\CC[C@@H](C)C=C1C=O
InChIInChI=1S/C11H16O/c1-3-4-10-6-5-9(2)7-11(10)8-12/h4,7-9H,3,5-6H2,1-2H3/b10-4+/t9-/m1/s1
InChIKeyRPFQOYKTUWLKSC-BZFUBLJMSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds2

About (3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde

(3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde (PubChem CID 101236983) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde
PubChem CID101236983
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde
SMILESCC/C=C1\CC[C@@H](C)C=C1C=O
InChIInChI=1S/C11H16O/c1-3-4-10-6-5-9(2)7-11(10)8-12/h4,7-9H,3,5-6H2,1-2H3/b10-4+/t9-/m1/s1
InChIKeyRPFQOYKTUWLKSC-BZFUBLJMSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde
CID 10442023
1-ethyl-3-methylcyclopentene;methane
CID 161172623
(2E,5S,8aS)-6-hydroxy-5,8a-dimethyl-2-propylidene-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-one
CID 149162667
(3E)-5-methyl-3-propylideneoxolan-2-one
CID 10820611
(4E)-1,3-dimethyl-4-propylidenecyclopentene
CID 22236779
3-methylcyclopenten-1-olate
CID 101379344
(2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane
CID 143166519
(3Z)-1-methyl-3-propylidenecyclopentane
CID 144536317
3-methylcyclopentene-1-carboxylic acid
CID 12779737
7-propylidenebicyclo[4.1.0]heptane
CID 556456
(4Z)-4,6-dimethylcyclooct-4-en-1-one
CID 14063354
(1R,3Z)-4-methylidene-3-propylidenecyclohexan-1-ol
CID 88974948

Frequently Asked Questions

What is the IUPAC name of (3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde?
The IUPAC name of (3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde (CID 101236983) is (3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde.
What is the SMILES notation for (3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde?
The canonical SMILES for (3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde is CC/C=C1\CC[C@@H](C)C=C1C=O.
What is the InChIKey of (3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde?
The InChIKey is RPFQOYKTUWLKSC-BZFUBLJMSA-N. The full InChI is InChI=1S/C11H16O/c1-3-4-10-6-5-9(2)7-11(10)8-12/h4,7-9H,3,5-6H2,1-2H3/b10-4+/t9-/m1/s1.
What are the key properties of (3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde?
(3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde has a molecular weight of 164.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6E)-3-methyl-6-propylidenecyclohexene-1-carbaldehyde is sourced from PubChem (CID 101236983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).