3-(4-propylcyclohexyl)oxane

C14H26O — CID 150771088

IUPAC3-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCCOC2)CC1
InChIInChI=1S/C14H26O/c1-2-4-12-6-8-13(9-7-12)14-5-3-10-15-11-14/h12-14H,2-11H2,1H3
InChIKeyJZWLMHBIJPCXGV-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.02
Rot. Bonds3

About 3-(4-propylcyclohexyl)oxane

3-(4-propylcyclohexyl)oxane (PubChem CID 150771088) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(4-propylcyclohexyl)oxane.

Molecular Properties

Compound Name3-(4-propylcyclohexyl)oxane
PubChem CID150771088
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCCOC2)CC1
InChIInChI=1S/C14H26O/c1-2-4-12-6-8-13(9-7-12)14-5-3-10-15-11-14/h12-14H,2-11H2,1H3
InChIKeyJZWLMHBIJPCXGV-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[(3S)-oxan-3-yl]oxane
CID 122223544
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-cyclohexyl-6-propylcyclodecane
CID 58552139
[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol
CID 70829322
3-chloro-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-1-one
CID 175787154
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane
CID 58620462
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
2,2-difluoro-5-(4-propylcyclohexyl)oxane
CID 154524129

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylcyclohexyl)oxane?
The IUPAC name of 3-(4-propylcyclohexyl)oxane (CID 150771088) is 3-(4-propylcyclohexyl)oxane.
What is the SMILES notation for 3-(4-propylcyclohexyl)oxane?
The canonical SMILES for 3-(4-propylcyclohexyl)oxane is CCCC1CCC(C2CCCOC2)CC1.
What is the InChIKey of 3-(4-propylcyclohexyl)oxane?
The InChIKey is JZWLMHBIJPCXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-2-4-12-6-8-13(9-7-12)14-5-3-10-15-11-14/h12-14H,2-11H2,1H3.
What are the key properties of 3-(4-propylcyclohexyl)oxane?
3-(4-propylcyclohexyl)oxane has a molecular weight of 210.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylcyclohexyl)oxane is sourced from PubChem (CID 150771088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).