2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane

C16H28O — CID 177002588

IUPAC2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane
SMILESC=C1CCCC(C)(C)C1CCC1(C)CCCO1
InChIInChI=1S/C16H28O/c1-13-7-5-9-15(2,3)14(13)8-11-16(4)10-6-12-17-16/h14H,1,5-12H2,2-4H3
InChIKeyVDLZCARMIVITIN-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.72
Rot. Bonds3

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

2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane (PubChem CID 177002588) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane.

Molecular Properties

Compound Name2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane
PubChem CID177002588
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane
SMILESC=C1CCCC(C)(C)C1CCC1(C)CCCO1
InChIInChI=1S/C16H28O/c1-13-7-5-9-15(2,3)14(13)8-11-16(4)10-6-12-17-16/h14H,1,5-12H2,2-4H3
InChIKeyVDLZCARMIVITIN-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane
CID 162936538
2-(2-chloroethyl)-1,1-dimethyl-3-methylidenecyclohexane
CID 71402169
(2S)-2-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,8-dimethyldeca-3,7-dienyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 132559350
methyl 2-[5-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-5-methyl-1,4-dioxan-2-yl]propanoate
CID 71431382
5-[3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-3-methyloxiran-2-yl]-3-methylpent-2-en-1-ol
CID 162888501
(Z)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-ol
CID 163006051
(3S)-5-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
CID 154497742
2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid
CID 130663138
N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine
CID 11085067
(2S)-1,1-dimethyl-3-methylidene-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexane
CID 100918373
(2Z,6Z)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol
CID 92530225
1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one
CID 552408

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane?
The IUPAC name of 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane (CID 177002588) is 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane.
What is the SMILES notation for 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane?
The canonical SMILES for 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane is C=C1CCCC(C)(C)C1CCC1(C)CCCO1.
What is the InChIKey of 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane?
The InChIKey is VDLZCARMIVITIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-13-7-5-9-15(2,3)14(13)8-11-16(4)10-6-12-17-16/h14H,1,5-12H2,2-4H3.
What are the key properties of 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane?
2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane has a molecular weight of 236.40 g/mol, XLogP of 4.72, 3 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]-2-methyloxolane is sourced from PubChem (CID 177002588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).