11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde

C15H24O — CID 85157604

IUPAC11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde
SMILESC=C1CCCC(C=O)CCC2C1CC2(C)C
InChIInChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h10,12-14H,1,4-9H2,2-3H3
InChIKeyQRSRVOUYGXKOHE-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds1

About 11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde

11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde (PubChem CID 85157604) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde.

Molecular Properties

Compound Name11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde
PubChem CID85157604
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde
SMILESC=C1CCCC(C=O)CCC2C1CC2(C)C
InChIInChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h10,12-14H,1,4-9H2,2-3H3
InChIKeyQRSRVOUYGXKOHE-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
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

(1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde
CID 162391180
1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone
CID 121415673
4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
CID 14697674
(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol
CID 122525723
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
CID 5281522
10,10-dimethylbicyclo[7.2.0]undecan-2-one
CID 91392358
cyclooctane-1,4-dicarbaldehyde
CID 19884381
(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene
CID 16758050
4-methylidenecyclohexane-1-carbaldehyde
CID 15818136
[(1S,4Z,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
CID 91753476
5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one
CID 3860435
cyclooctane-1,5-dicarbaldehyde
CID 18542113

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde?
The IUPAC name of 11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde (CID 85157604) is 11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde.
What is the SMILES notation for 11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde?
The canonical SMILES for 11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde is C=C1CCCC(C=O)CCC2C1CC2(C)C.
What is the InChIKey of 11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde?
The InChIKey is QRSRVOUYGXKOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h10,12-14H,1,4-9H2,2-3H3.
What are the key properties of 11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde?
11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde has a molecular weight of 220.36 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde is sourced from PubChem (CID 85157604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).