1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde

C15H22O — CID 91697581

IUPAC1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde
SMILESC=C(C)C1CCC(C)C12CC=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/h6,10,12,14H,1,4-5,7-9H2,2-3H3
InChIKeySUKDSHSNIPECAU-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.90
Rot. Bonds2

About 1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde

1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde (PubChem CID 91697581) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde
PubChem CID91697581
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde
SMILESC=C(C)C1CCC(C)C12CC=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/h6,10,12,14H,1,4-5,7-9H2,2-3H3
InChIKeySUKDSHSNIPECAU-UHFFFAOYSA-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'}

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Related Compounds

Myrtenal
CID 61130
Myrtenal, (A+-)-
CID 1201529
Phellandral
CID 89488
Isovelleral
CID 37839
Solavetivone
CID 442399
1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
CID 106684
beta-Vetivone
CID 442406
(-)-Acorenone
CID 12480741
2-Methyl-4-(2,6,6-trimethylcyclohex-2-EN-1-YL)butanal
CID 175482
Cyclohexenebutanal, alpha,2,2,6-tetramethyl-
CID 103381
2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one
CID 521550
Npc246622
CID 573024

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde?
The IUPAC name of 1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde (CID 91697581) is 1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde.
What is the SMILES notation for 1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde?
The canonical SMILES for 1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde is C=C(C)C1CCC(C)C12CC=C(C=O)CC2.
What is the InChIKey of 1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde?
The InChIKey is SUKDSHSNIPECAU-UHFFFAOYSA-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/h6,10,12,14H,1,4-5,7-9H2,2-3H3.
What are the key properties of 1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde?
1-methyl-4-prop-1-en-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 1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene-8-carbaldehyde is sourced from PubChem (CID 91697581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).