(5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde

C15H24O — CID 131751915

IUPAC(5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde
SMILESC/C1=C/CCC(C=O)C2CC(C)(C)C2CC1
InChIInChI=1S/C15H24O/c1-11-5-4-6-12(10-16)13-9-15(2,3)14(13)8-7-11/h5,10,12-14H,4,6-9H2,1-3H3/b11-5-
InChIKeyVLWNRFXSKLVVEB-WZUFQYTHSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds1

About (5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde

(5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde (PubChem CID 131751915) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde.

Molecular Properties

Compound Name(5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde
PubChem CID131751915
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde
SMILESC/C1=C/CCC(C=O)C2CC(C)(C)C2CC1
InChIInChI=1S/C15H24O/c1-11-5-4-6-12(10-16)13-9-15(2,3)14(13)8-7-11/h5,10,12-14H,4,6-9H2,1-3H3/b11-5-
InChIKeyVLWNRFXSKLVVEB-WZUFQYTHSA-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

Myrtenal
CID 61130
alpha-Campholenal
CID 1252759
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
CID 93199
alpha-Cyclocitral
CID 94143
1-p-Menthen-9-al
CID 520440
3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
CID 98497
Vertonal
CID 101150
Myrtenal, (A+-)-
CID 1201529
3-Cyclohexene-1-propanal, beta,4-dimethyl-
CID 110923
2,6,10-Trimethyl-9-undecenal
CID 98403
1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
CID 106684
alpha,alpha,6,6-Tetramethylbicyclo(3.1.1)hept-2-ene-2-propanal
CID 118112

Frequently Asked Questions

What is the IUPAC name of (5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde?
The IUPAC name of (5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde (CID 131751915) is (5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde.
What is the SMILES notation for (5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde?
The canonical SMILES for (5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde is C/C1=C/CCC(C=O)C2CC(C)(C)C2CC1.
What is the InChIKey of (5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde?
The InChIKey is VLWNRFXSKLVVEB-WZUFQYTHSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)13-9-15(2,3)14(13)8-7-11/h5,10,12-14H,4,6-9H2,1-3H3/b11-5-.
What are the key properties of (5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde?
(5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-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 (5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde is sourced from PubChem (CID 131751915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).