3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde

C13H18O — CID 174387140

IUPAC3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
SMILESC=C1CC(C)(C)C(C2CC2)=CC1C=O
InChIInChI=1S/C13H18O/c1-9-7-13(2,3)12(10-4-5-10)6-11(9)8-14/h6,8,10-11H,1,4-5,7H2,2-3H3
InChIKeyGKIFAMJIHBGEOB-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.12
Rot. Bonds2

About 3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde

3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde (PubChem CID 174387140) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
PubChem CID174387140
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
SMILESC=C1CC(C)(C)C(C2CC2)=CC1C=O
InChIInChI=1S/C13H18O/c1-9-7-13(2,3)12(10-4-5-10)6-11(9)8-14/h6,8,10-11H,1,4-5,7H2,2-3H3
InChIKeyGKIFAMJIHBGEOB-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.12
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

3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
CID 174387145
(3-formyl-6,6-dimethyl-4-methylidenecyclohexen-1-yl) formate
CID 174386603
3-(2-aminoethyl)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
CID 174431342
1,2-dimethyl-3,4,4a,5,6,7-hexahydro-2H-naphthalene-1-carbaldehyde
CID 141341095
2,2,8-trimethyl-3,3a,6,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde
CID 53461824
(6-formyl-3,3-dimethyl-5-methylidenecyclohexen-1-yl) formate
CID 174386871
[(5S,9S)-4,11,11-trimethyl-8-methylidene-5-bicyclo[7.2.0]undec-1-enyl] formate
CID 154735097
7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde
CID 14342390
(1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde
CID 162391180
1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene
CID 123701267
3,3-dimethyl-2-oxocyclopentane-1-carbaldehyde
CID 79857887
11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde
CID 85157604

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde (CID 174387140) is 3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde is C=C1CC(C)(C)C(C2CC2)=CC1C=O.
What is the InChIKey of 3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The InChIKey is GKIFAMJIHBGEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-7-13(2,3)12(10-4-5-10)6-11(9)8-14/h6,8,10-11H,1,4-5,7H2,2-3H3.
What are the key properties of 3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde has a molecular weight of 190.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 174387140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).