1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane

C23H44 — CID 90993293

IUPAC1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane
SMILESC=CC(CCCCC)C1(C)CCCCCCC(C)(C)CCCC1
InChIInChI=1S/C23H44/c1-6-8-11-16-21(7-2)23(5)19-13-10-9-12-17-22(3,4)18-14-15-20-23/h7,21H,2,6,8-20H2,1,3-5H3
InChIKeyAEBJCQNEVAHFKZ-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.32
Rot. Bonds6

About 1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane

1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane (PubChem CID 90993293) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane.

Molecular Properties

Compound Name1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane
PubChem CID90993293
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane
SMILESC=CC(CCCCC)C1(C)CCCCCCC(C)(C)CCCC1
InChIInChI=1S/C23H44/c1-6-8-11-16-21(7-2)23(5)19-13-10-9-12-17-22(3,4)18-14-15-20-23/h7,21H,2,6,8-20H2,1,3-5H3
InChIKeyAEBJCQNEVAHFKZ-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-undec-1-en-3-ylcyclohexane
CID 11107782
N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine
CID 106829929
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1,1-dimethylcyclohexane;pent-1-ene;propane
CID 143331368
N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine
CID 106830165
2-(1-hydroxycyclopentyl)decanal
CID 15853016
1-(1-methylcyclopentyl)-N-propyldecan-1-amine
CID 115831669
1-butyl-1-ethenylcyclohexane
CID 158478687
1,1-dimethylcyclononane
CID 59289773
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
3-ethenylnon-1-ene
CID 123641938

Frequently Asked Questions

What is the IUPAC name of 1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane?
The IUPAC name of 1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane (CID 90993293) is 1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane.
What is the SMILES notation for 1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane?
The canonical SMILES for 1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane is C=CC(CCCCC)C1(C)CCCCCCC(C)(C)CCCC1.
What is the InChIKey of 1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane?
The InChIKey is AEBJCQNEVAHFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-6-8-11-16-21(7-2)23(5)19-13-10-9-12-17-22(3,4)18-14-15-20-23/h7,21H,2,6,8-20H2,1,3-5H3.
What are the key properties of 1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane?
1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane has a molecular weight of 320.61 g/mol, XLogP of 8.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane is sourced from PubChem (CID 90993293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).