2-cyclohexyl-3,4-dimethylideneoxepane

C14H22O — CID 139254412

IUPAC2-cyclohexyl-3,4-dimethylideneoxepane
SMILESC=C1CCCOC(C2CCCCC2)C1=C
InChIInChI=1S/C14H22O/c1-11-7-6-10-15-14(12(11)2)13-8-4-3-5-9-13/h13-14H,1-10H2
InChIKeyUNKWAUCDDPTWNU-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.86
Rot. Bonds1

About 2-cyclohexyl-3,4-dimethylideneoxepane

2-cyclohexyl-3,4-dimethylideneoxepane (PubChem CID 139254412) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-cyclohexyl-3,4-dimethylideneoxepane.

Molecular Properties

Compound Name2-cyclohexyl-3,4-dimethylideneoxepane
PubChem CID139254412
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-cyclohexyl-3,4-dimethylideneoxepane
SMILESC=C1CCCOC(C2CCCCC2)C1=C
InChIInChI=1S/C14H22O/c1-11-7-6-10-15-14(12(11)2)13-8-4-3-5-9-13/h13-14H,1-10H2
InChIKeyUNKWAUCDDPTWNU-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclohexyl-3,4-dimethylideneoxepane 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

3-Methylidene-4,4a,5,6,7,8,9,9a-octahydrocyclohepta[b]pyran
CID 14437956
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
1-Prop-2-enoxybut-3-enylcyclohexane
CID 10631684
2-Cyclohexyl-4-methylenetetrahydrofuran
CID 13692418
2-Cyclohexyl-3-ethenyl-4-methylideneoxolane
CID 85875898
2-Cyclohexyl-4-methylideneoxepane
CID 101903589
2-Cyclohexyl-4-methyl-5-methylideneoxane
CID 134966506
3-Methyl-4-methylidene-1-oxaspiro[4.5]decane
CID 134980787
(2R,3R)-2-cyclohexyl-3-prop-1-en-2-yloxirane
CID 135056455
5-methylidene-3,4,5a,6,7,8,9,9a-octahydro-2H-benzo[b]oxepine
CID 135062168
(2S,7S)-3,4-dimethylidene-2-pentyl-7-propan-2-yloxepane
CID 139254386
2-Cyclohexyl-6-methylideneoxepane
CID 176427704

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3,4-dimethylideneoxepane?
The IUPAC name of 2-cyclohexyl-3,4-dimethylideneoxepane (CID 139254412) is 2-cyclohexyl-3,4-dimethylideneoxepane.
What is the SMILES notation for 2-cyclohexyl-3,4-dimethylideneoxepane?
The canonical SMILES for 2-cyclohexyl-3,4-dimethylideneoxepane is C=C1CCCOC(C2CCCCC2)C1=C.
What is the InChIKey of 2-cyclohexyl-3,4-dimethylideneoxepane?
The InChIKey is UNKWAUCDDPTWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11-7-6-10-15-14(12(11)2)13-8-4-3-5-9-13/h13-14H,1-10H2.
What are the key properties of 2-cyclohexyl-3,4-dimethylideneoxepane?
2-cyclohexyl-3,4-dimethylideneoxepane has a molecular weight of 206.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3,4-dimethylideneoxepane is sourced from PubChem (CID 139254412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).