(1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde

C9H12O — CID 149268097

IUPAC(1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde
SMILESC=C1CC=CC[C@@]1(C)C=O
InChIInChI=1S/C9H12O/c1-8-5-3-4-6-9(8,2)7-10/h3-4,7H,1,5-6H2,2H3/t9-/m0/s1
InChIKeyXQNNLAKNJDBJRU-VIFPVBQESA-N
MW136.19 g/mol
LogP2.10
Rot. Bonds1

About (1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde

(1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde (PubChem CID 149268097) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde
PubChem CID149268097
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde
SMILESC=C1CC=CC[C@@]1(C)C=O
InChIInChI=1S/C9H12O/c1-8-5-3-4-6-9(8,2)7-10/h3-4,7H,1,5-6H2,2H3/t9-/m0/s1
InChIKeyXQNNLAKNJDBJRU-VIFPVBQESA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.10
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

1-methyl-2-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 71317478
cyclopent-3-ene-1,1-dicarbaldehyde
CID 57357760
(1S)-1-methylcyclobut-2-ene-1-carbaldehyde
CID 173492994
acetaldehyde;4,4-dimethylcyclopentene;ethane
CID 144700874
1-benzoyl-3-methyl-4-methylidenepyrrolidine-3-carbaldehyde
CID 57327952
1,2,2,3-tetramethyl-3,4,5,8-tetrahydronaphthalene-1-carbaldehyde
CID 174828395
2,3,4,7-tetrahydroindene-3a-carbaldehyde
CID 14268500
(4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one
CID 134453128
(3R,3aS,7aR)-3-methyl-1,2,3,4,7,7a-hexahydroindene-3a-carbaldehyde
CID 131033853
2,2,7,7-tetramethylcyclohept-4-en-1-one
CID 10986628
1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde
CID 123460856
(1R)-1,4,4-trimethyl-2-oxocyclopentane-1-carbaldehyde
CID 7057168

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde (CID 149268097) is (1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde is C=C1CC=CC[C@@]1(C)C=O.
What is the InChIKey of (1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde?
The InChIKey is XQNNLAKNJDBJRU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12O/c1-8-5-3-4-6-9(8,2)7-10/h3-4,7H,1,5-6H2,2H3/t9-/m0/s1.
What are the key properties of (1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde?
(1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde has a molecular weight of 136.19 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 149268097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).