2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane

C20H34O — CID 85145683

IUPAC2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane
SMILESC=CC1(C)CCCC(C)(CCC2C(=C)CCCC2(C)C)O1
InChIInChI=1S/C20H34O/c1-7-19(5)13-9-14-20(6,21-19)15-11-17-16(2)10-8-12-18(17,3)4/h7,17H,1-2,8-15H2,3-6H3
InChIKeyGTTWOJCJYLTUMQ-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.05
Rot. Bonds4

About 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane

2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane (PubChem CID 85145683) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane.

Molecular Properties

Compound Name2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane
PubChem CID85145683
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane
SMILESC=CC1(C)CCCC(C)(CCC2C(=C)CCCC2(C)C)O1
InChIInChI=1S/C20H34O/c1-7-19(5)13-9-14-20(6,21-19)15-11-17-16(2)10-8-12-18(17,3)4/h7,17H,1-2,8-15H2,3-6H3
InChIKeyGTTWOJCJYLTUMQ-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane?
The IUPAC name of 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane (CID 85145683) is 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane.
What is the SMILES notation for 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane?
The canonical SMILES for 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane is C=CC1(C)CCCC(C)(CCC2C(=C)CCCC2(C)C)O1.
What is the InChIKey of 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane?
The InChIKey is GTTWOJCJYLTUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-7-19(5)13-9-14-20(6,21-19)15-11-17-16(2)10-8-12-18(17,3)4/h7,17H,1-2,8-15H2,3-6H3.
What are the key properties of 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane?
2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane has a molecular weight of 290.49 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-ethenyl-2,6-dimethyloxane is sourced from PubChem (CID 85145683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).