2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane

C16H28O2 — CID 176603114

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane
SMILESCC1(CCOC=C2CCCCC2)CCCCCO1
InChIInChI=1S/C16H28O2/c1-16(10-6-3-7-12-18-16)11-13-17-14-15-8-4-2-5-9-15/h14H,2-13H2,1H3
InChIKeyUEMLVXAFQMYRAN-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.59
Rot. Bonds4

About 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane

2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane (PubChem CID 176603114) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane
PubChem CID176603114
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane
SMILESCC1(CCOC=C2CCCCC2)CCCCCO1
InChIInChI=1S/C16H28O2/c1-16(10-6-3-7-12-18-16)11-13-17-14-15-8-4-2-5-9-15/h14H,2-13H2,1H3
InChIKeyUEMLVXAFQMYRAN-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-Dihexyl-2-methyl-3,4-dihydropyran
CID 68116284
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxepane
CID 176602930
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxocane
CID 176603278
3-[1-(Cyclohexylidenemethoxy)ethyl]-3-methyloxepane
CID 176603427
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxane
CID 176603481
2-(Cyclohexylidenemethoxymethyl)-2-methyloxocane
CID 176603918
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxocane
CID 176604043
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane
CID 176604209
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxocane
CID 176605121
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxepane
CID 176605227
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyloxepane
CID 176605452

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane (CID 176603114) is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane is CC1(CCOC=C2CCCCC2)CCCCCO1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane?
The InChIKey is UEMLVXAFQMYRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-16(10-6-3-7-12-18-16)11-13-17-14-15-8-4-2-5-9-15/h14H,2-13H2,1H3.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane?
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane has a molecular weight of 252.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxepane is sourced from PubChem (CID 176603114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).