cyclohexene;cyclohexyloxycyclohexane

C18H32O — CID 174935806

IUPACcyclohexene;cyclohexyloxycyclohexane
SMILESC1=CCCCC1.C1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C12H22O.C6H10/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1/h11-12H,1-10H2;1-2H,3-6H2
InChIKeyGMSRYOIGWCKVSD-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.78
Rot. Bonds2

About cyclohexene;cyclohexyloxycyclohexane

cyclohexene;cyclohexyloxycyclohexane (PubChem CID 174935806) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is cyclohexene;cyclohexyloxycyclohexane.

Molecular Properties

Compound Namecyclohexene;cyclohexyloxycyclohexane
PubChem CID174935806
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Namecyclohexene;cyclohexyloxycyclohexane
SMILESC1=CCCCC1.C1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C12H22O.C6H10/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1/h11-12H,1-10H2;1-2H,3-6H2
InChIKeyGMSRYOIGWCKVSD-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.78
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

cyclobutyloxycyclohexane
CID 89332762
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
CID 173424592
CID 173424592
cyclobutyloxycyclobutane;hydrofluoride
CID 174842144
cyclododecene;cyclohexylcyclohexane
CID 173310836
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
cyclopentadecene
CID 5463009
cyclopentadeca-1,7-diene
CID 154173092
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(7Z)-cyclohexadeca-1,7-diene
CID 173129118

Frequently Asked Questions

What is the IUPAC name of cyclohexene;cyclohexyloxycyclohexane?
The IUPAC name of cyclohexene;cyclohexyloxycyclohexane (CID 174935806) is cyclohexene;cyclohexyloxycyclohexane.
What is the SMILES notation for cyclohexene;cyclohexyloxycyclohexane?
The canonical SMILES for cyclohexene;cyclohexyloxycyclohexane is C1=CCCCC1.C1CCC(OC2CCCCC2)CC1.
What is the InChIKey of cyclohexene;cyclohexyloxycyclohexane?
The InChIKey is GMSRYOIGWCKVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C6H10/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1/h11-12H,1-10H2;1-2H,3-6H2.
What are the key properties of cyclohexene;cyclohexyloxycyclohexane?
cyclohexene;cyclohexyloxycyclohexane has a molecular weight of 264.45 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;cyclohexyloxycyclohexane is sourced from PubChem (CID 174935806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).