2,5-dimethylhex-5-en-3-yloxycyclohexane

C14H26O — CID 123198142

IUPAC2,5-dimethylhex-5-en-3-yloxycyclohexane
SMILESC=C(C)CC(OC1CCCCC1)C(C)C
InChIInChI=1S/C14H26O/c1-11(2)10-14(12(3)4)15-13-8-6-5-7-9-13/h12-14H,1,5-10H2,2-4H3
InChIKeyYBWOGLYWUJMUEO-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds5

About 2,5-dimethylhex-5-en-3-yloxycyclohexane

2,5-dimethylhex-5-en-3-yloxycyclohexane (PubChem CID 123198142) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,5-dimethylhex-5-en-3-yloxycyclohexane.

Molecular Properties

Compound Name2,5-dimethylhex-5-en-3-yloxycyclohexane
PubChem CID123198142
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,5-dimethylhex-5-en-3-yloxycyclohexane
SMILESC=C(C)CC(OC1CCCCC1)C(C)C
InChIInChI=1S/C14H26O/c1-11(2)10-14(12(3)4)15-13-8-6-5-7-9-13/h12-14H,1,5-10H2,2-4H3
InChIKeyYBWOGLYWUJMUEO-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
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

(1-cyclohexyloxy-2-methylpropoxy)cyclohexane
CID 20788615
N-tert-butyl-2-cyclopentyloxy-3-methylbutan-1-amine
CID 62446329
2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 62442191
propan-2-yloxycycloundecane
CID 91254526
3-cyclohexyloxy-2-hydroxy-5-methylhexanamide
CID 134349565
2-cyclobutyloxy-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62442194
3-amino-2-cyclobutyloxy-4-methylpentan-1-ol
CID 114358246
1-cyclohexyl-4-methylpent-4-en-2-ol
CID 115816975
1-cyclopentyloxyethyl 2-methylprop-2-enoate
CID 68973043
methyl 3-cyclohexyloxybutanoate
CID 43612104
3-methylbutan-2-yloxycyclopentane;propane-1,2-diol
CID 175276531
1-cyclohexyloxyethyl acetate
CID 58944366

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhex-5-en-3-yloxycyclohexane?
The IUPAC name of 2,5-dimethylhex-5-en-3-yloxycyclohexane (CID 123198142) is 2,5-dimethylhex-5-en-3-yloxycyclohexane.
What is the SMILES notation for 2,5-dimethylhex-5-en-3-yloxycyclohexane?
The canonical SMILES for 2,5-dimethylhex-5-en-3-yloxycyclohexane is C=C(C)CC(OC1CCCCC1)C(C)C.
What is the InChIKey of 2,5-dimethylhex-5-en-3-yloxycyclohexane?
The InChIKey is YBWOGLYWUJMUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)10-14(12(3)4)15-13-8-6-5-7-9-13/h12-14H,1,5-10H2,2-4H3.
What are the key properties of 2,5-dimethylhex-5-en-3-yloxycyclohexane?
2,5-dimethylhex-5-en-3-yloxycyclohexane has a molecular weight of 210.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhex-5-en-3-yloxycyclohexane is sourced from PubChem (CID 123198142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).