(1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde

C15H24O — CID 162850578

IUPAC(1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde
SMILESC/C1=C\CC[C@@H](C=O)[C@@H]2CC(C)(C)[C@@H]2CC1
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+/t12-,13-,14+/m0/s1
InChIKeyVLWNRFXSKLVVEB-JNUUOJQQSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds1

About (1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde

(1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde (PubChem CID 162850578) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde
PubChem CID162850578
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde
SMILESC/C1=C\CC[C@@H](C=O)[C@@H]2CC(C)(C)[C@@H]2CC1
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+/t12-,13-,14+/m0/s1
InChIKeyVLWNRFXSKLVVEB-JNUUOJQQSA-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'}

Analyze (1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde with MolForge

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Related Compounds

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alpha-Cyclocitral
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3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
CID 98497
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CID 1201529
2,6,10-Trimethyl-9-undecenal
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Vertonal
CID 101150
1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
CID 106684
2,2,4-Trimethyl-3-cyclohexenecarboxaldehyde
CID 102680
2-Methyl-4-(2,6,6-trimethylcyclohex-2-EN-1-YL)butanal
CID 175482

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde?
The IUPAC name of (1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde (CID 162850578) is (1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde.
What is the SMILES notation for (1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde?
The canonical SMILES for (1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde is C/C1=C\CC[C@@H](C=O)[C@@H]2CC(C)(C)[C@@H]2CC1.
What is the InChIKey of (1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde?
The InChIKey is VLWNRFXSKLVVEB-JNUUOJQQSA-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+/t12-,13-,14+/m0/s1.
What are the key properties of (1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde?
(1R,2R,5E,9R)-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 (1R,2R,5E,9R)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde is sourced from PubChem (CID 162850578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).