(2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane

C20H34O — CID 162936538

IUPAC(2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane
SMILESC=C[C@@]1(C)CCC[C@@](C)(CC[C@@H]2C(=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/t17-,19+,20+/m1/s1
InChIKeyGTTWOJCJYLTUMQ-HOJAQTOUSA-N
MW290.49 g/mol
LogP6.05
Rot. Bonds4

About (2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane

(2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane (PubChem CID 162936538) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane.

Molecular Properties

Compound Name(2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane
PubChem CID162936538
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane
SMILESC=C[C@@]1(C)CCC[C@@](C)(CC[C@@H]2C(=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/t17-,19+,20+/m1/s1
InChIKeyGTTWOJCJYLTUMQ-HOJAQTOUSA-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'}

Analyze (2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane
CID 177002588
2-(2-chloroethyl)-1,1-dimethyl-3-methylidenecyclohexane
CID 71402169
(3S)-5-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
CID 154497742
2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane
CID 91750490
(2S)-2-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,8-dimethyldeca-3,7-dienyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 132559350
5-[3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-3-methyloxiran-2-yl]-3-methylpent-2-en-1-ol
CID 162888501
2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid
CID 130663138
(Z)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-ol
CID 163006051
5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid
CID 75163682
methyl 2-[5-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-5-methyl-1,4-dioxan-2-yl]propanoate
CID 71431382
2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol
CID 85287719
N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine
CID 11085067

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane?
The IUPAC name of (2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane (CID 162936538) is (2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane.
What is the SMILES notation for (2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane?
The canonical SMILES for (2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane is C=C[C@@]1(C)CCC[C@@](C)(CC[C@@H]2C(=C)CCCC2(C)C)O1.
What is the InChIKey of (2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane?
The InChIKey is GTTWOJCJYLTUMQ-HOJAQTOUSA-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/t17-,19+,20+/m1/s1.
What are the key properties of (2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane?
(2S,6R)-2-[2-[(1S)-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 (2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane is sourced from PubChem (CID 162936538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).