1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane

C19H32O — CID 175039493

IUPAC1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane
SMILESC1CCC(CC2CCC(C34CCCCC3O4)CC2)CC1
InChIInChI=1S/C19H32O/c1-2-6-15(7-3-1)14-16-9-11-17(12-10-16)19-13-5-4-8-18(19)20-19/h15-18H,1-14H2
InChIKeyVLDUKYGOKDOTQL-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.47
Rot. Bonds3

About 1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane

1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 175039493) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID175039493
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane
SMILESC1CCC(CC2CCC(C34CCCCC3O4)CC2)CC1
InChIInChI=1S/C19H32O/c1-2-6-15(7-3-1)14-16-9-11-17(12-10-16)19-13-5-4-8-18(19)20-19/h15-18H,1-14H2
InChIKeyVLDUKYGOKDOTQL-UHFFFAOYSA-N
XLogP5.47
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane 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

1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane
CID 173352851
1-(4-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptane
CID 175283051
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
cyclopentadecylmethylcyclopentadecane
CID 91804599
1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene
CID 86668656
(8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene
CID 87058026
carbanide;bis(cyclopentane);cyclopentylmethylcyclopentane;bis(iron(2+))
CID 162297269
1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 4694469
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
1,4-bis(cyclohexylmethyl)cyclohexane;propane;hydrofluoride;hydroiodide
CID 169430609
1-chloro-4-(cyclohexylmethyl)cyclohexane
CID 67573435
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane (CID 175039493) is 1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane is C1CCC(CC2CCC(C34CCCCC3O4)CC2)CC1.
What is the InChIKey of 1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is VLDUKYGOKDOTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-2-6-15(7-3-1)14-16-9-11-17(12-10-16)19-13-5-4-8-18(19)20-19/h15-18H,1-14H2.
What are the key properties of 1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane?
1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 276.46 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexylmethyl)cyclohexyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 175039493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).