(1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde

C15H22O — CID 118730780

IUPAC(1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde
SMILESC=C1CC[C@@H](C(C)C)[C@]12CC=C(C=O)CC2
InChIInChI=1S/C15H22O/c1-11(2)14-5-4-12(3)15(14)8-6-13(10-16)7-9-15/h6,10-11,14H,3-5,7-9H2,1-2H3/t14-,15-/m0/s1
InChIKeyVJYYDWFXHYZJMS-GJZGRUSLSA-N
MW218.34 g/mol
LogP3.90
Rot. Bonds2

About (1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde

(1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde (PubChem CID 118730780) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde.

Molecular Properties

Compound Name(1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde
PubChem CID118730780
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde
SMILESC=C1CC[C@@H](C(C)C)[C@]12CC=C(C=O)CC2
InChIInChI=1S/C15H22O/c1-11(2)14-5-4-12(3)15(14)8-6-13(10-16)7-9-15/h6,10-11,14H,3-5,7-9H2,1-2H3/t14-,15-/m0/s1
InChIKeyVJYYDWFXHYZJMS-GJZGRUSLSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.90
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 (1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde?
The IUPAC name of (1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde (CID 118730780) is (1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde.
What is the SMILES notation for (1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde?
The canonical SMILES for (1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde is C=C1CC[C@@H](C(C)C)[C@]12CC=C(C=O)CC2.
What is the InChIKey of (1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde?
The InChIKey is VJYYDWFXHYZJMS-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)14-5-4-12(3)15(14)8-6-13(10-16)7-9-15/h6,10-11,14H,3-5,7-9H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde?
(1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde has a molecular weight of 218.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde is sourced from PubChem (CID 118730780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).