5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene

C21H40 — CID 123296538

IUPAC5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene
SMILESCCC1CC(C)C=CCC(C)C(C)C(C(C)C(C)CC)C1
InChIInChI=1S/C21H40/c1-8-16(4)18(6)21-14-20(9-2)13-15(3)11-10-12-17(5)19(21)7/h10-11,15-21H,8-9,12-14H2,1-7H3
InChIKeyWKCGOIGDNZHMGW-UHFFFAOYSA-N
MW292.55 g/mol
LogP6.96
Rot. Bonds4

About 5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene

5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene (PubChem CID 123296538) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene.

Molecular Properties

Compound Name5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene
PubChem CID123296538
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene
SMILESCCC1CC(C)C=CCC(C)C(C)C(C(C)C(C)CC)C1
InChIInChI=1S/C21H40/c1-8-16(4)18(6)21-14-20(9-2)13-15(3)11-10-12-17(5)19(21)7/h10-11,15-21H,8-9,12-14H2,1-7H3
InChIKeyWKCGOIGDNZHMGW-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 56.96
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

5-ethyl-3,6,7-trimethylcyclooctene
CID 123325813
2-butan-2-yl-1-methyl-3-(3-methylpentan-2-yl)cyclobutane
CID 90870897
4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane
CID 143344984
N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine
CID 143687545
(1S)-5-methylcyclohex-3-en-1-amine
CID 175324553
(2S)-4-ethyl-1,2-dimethylcyclopentane
CID 149056409
(5R)-3,5-dimethylcyclohexene
CID 142981274
(4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene
CID 149377273
5-methylcyclopent-2-ene-1-carbaldehyde
CID 75994699
(3R,5R)-5-ethyl-3-methoxycyclohexene
CID 170644305
1-methyl-2-(4-methylhexan-3-yl)cyclohexane
CID 91437485
3-butan-2-yl-5-methylcyclopentene
CID 143604175

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene?
The IUPAC name of 5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene (CID 123296538) is 5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene.
What is the SMILES notation for 5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene?
The canonical SMILES for 5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene is CCC1CC(C)C=CCC(C)C(C)C(C(C)C(C)CC)C1.
What is the InChIKey of 5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene?
The InChIKey is WKCGOIGDNZHMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-8-16(4)18(6)21-14-20(9-2)13-15(3)11-10-12-17(5)19(21)7/h10-11,15-21H,8-9,12-14H2,1-7H3.
What are the key properties of 5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene?
5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene has a molecular weight of 292.55 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,8,9-trimethyl-7-(3-methylpentan-2-yl)cyclodecene is sourced from PubChem (CID 123296538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).