1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene

C20H34 — CID 75094485

IUPAC1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
SMILESCC1=CCCC(C)=CCC(C(C)C)CCC(C)=CCC1
InChIInChI=1S/C20H34/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,20H,6-7,9-10,13-15H2,1-5H3
InChIKeyOKMQTAYLLFRHKE-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.84
Rot. Bonds1

About 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene

1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene (PubChem CID 75094485) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene.

Molecular Properties

Compound Name1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
PubChem CID75094485
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
SMILESCC1=CCCC(C)=CCC(C(C)C)CCC(C)=CCC1
InChIInChI=1S/C20H34/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,20H,6-7,9-10,13-15H2,1-5H3
InChIKeyOKMQTAYLLFRHKE-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.84
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

(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene
CID 160741124
(2S)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanal
CID 76958477
2-(4-methylcyclohex-3-en-1-yl)propane-1-thiol
CID 59610016
CID 10458509
CID 10458509
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(4-propan-2-ylcyclohexen-1-yl)oxidanium
CID 163435891
(1E,5E,8S)-1-methyl-4-methylidene-8-propan-2-ylcyclodeca-1,5-diene
CID 162874249
(1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene
CID 164665810
4-(4-chlorobutan-2-yl)-1-methylcyclohexene
CID 123381181
2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol
CID 10931690
5-butylbenzene-1,3-diol;ethane;1-methyl-4-propan-2-ylcyclohexene
CID 156810055

Frequently Asked Questions

What is the IUPAC name of 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene?
The IUPAC name of 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene (CID 75094485) is 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene.
What is the SMILES notation for 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene?
The canonical SMILES for 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene is CC1=CCCC(C)=CCC(C(C)C)CCC(C)=CCC1.
What is the InChIKey of 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene?
The InChIKey is OKMQTAYLLFRHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,20H,6-7,9-10,13-15H2,1-5H3.
What are the key properties of 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene?
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene has a molecular weight of 274.49 g/mol, XLogP of 6.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene is sourced from PubChem (CID 75094485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).