1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene

C20H32 — CID 74819495

IUPAC1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene
SMILESC=C(CCC=C(C)C)C1CCC(C)C12CC=C(C)CC2
InChIInChI=1S/C20H32/c1-15(2)7-6-8-17(4)19-10-9-18(5)20(19)13-11-16(3)12-14-20/h7,11,18-19H,4,6,8-10,12-14H2,1-3,5H3
InChIKeyREUUHHGDDCLKJR-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.45
Rot. Bonds4

About 1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene

1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene (PubChem CID 74819495) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene.

Molecular Properties

Compound Name1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene
PubChem CID74819495
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene
SMILESC=C(CCC=C(C)C)C1CCC(C)C12CC=C(C)CC2
InChIInChI=1S/C20H32/c1-15(2)7-6-8-17(4)19-10-9-18(5)20(19)13-11-16(3)12-14-20/h7,11,18-19H,4,6,8-10,12-14H2,1-3,5H3
InChIKeyREUUHHGDDCLKJR-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.45
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

(1S,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
CID 102207117
[(1S)-4-methyl-1-(6-methylhepta-1,5-dien-2-yl)cyclohex-3-en-1-yl] acetate
CID 102125310
2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
CID 23642749
2-[(1S,5R)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
CID 11972555
(2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane
CID 165415543
(1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol
CID 162905191
2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dien-1-ol
CID 529890
(2E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dien-1-ol
CID 158432615
[(1E,4R,7E,11E)-7,11-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,7,11-trien-1-yl]methanol
CID 162947061
[(1S,4Z,8E,12S)-5,9-dimethyl-12-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-4,8-dien-1-yl]methanol
CID 162989808
(2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
CID 135296629
(3R,4aR,8aR)-5,8a-dimethyl-3-(6-methylhepta-1,5-dien-2-yl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene
CID 71569019

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene?
The IUPAC name of 1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene (CID 74819495) is 1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene.
What is the SMILES notation for 1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene?
The canonical SMILES for 1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene is C=C(CCC=C(C)C)C1CCC(C)C12CC=C(C)CC2.
What is the InChIKey of 1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene?
The InChIKey is REUUHHGDDCLKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-15(2)7-6-8-17(4)19-10-9-18(5)20(19)13-11-16(3)12-14-20/h7,11,18-19H,4,6,8-10,12-14H2,1-3,5H3.
What are the key properties of 1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene?
1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene has a molecular weight of 272.48 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene is sourced from PubChem (CID 74819495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).