1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene

C15H24 — CID 520091

IUPAC1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
SMILESC=C(C)C1CCC(C)C12CC=C(C)CC2
InChIInChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3
InChIKeyDVBSKQAFCDJNSL-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About 1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene

1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene (PubChem CID 520091) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene.

Molecular Properties

Compound Name1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
PubChem CID520091
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
SMILESC=C(C)C1CCC(C)C12CC=C(C)CC2
InChIInChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3
InChIKeyDVBSKQAFCDJNSL-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(-)-Cedrene
CID 6431015
Elemene
CID 12309449
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
beta-Santalene
CID 10889018
alpha-Thujene
CID 17868
Methylcyclopentadiene dimer
CID 3033878
(3S,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene
CID 1201552
Cedrene
CID 521207
Trichodiene
CID 114857
gamma-Gurjunene
CID 15560285
2,5-Dimethyldicyclopentadiene
CID 3437714
Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-
CID 10534

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene?
The IUPAC name of 1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene (CID 520091) is 1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene.
What is the SMILES notation for 1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene?
The canonical SMILES for 1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene is C=C(C)C1CCC(C)C12CC=C(C)CC2.
What is the InChIKey of 1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene?
The InChIKey is DVBSKQAFCDJNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3.
What are the key properties of 1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene?
1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene is sourced from PubChem (CID 520091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).