3-but-2-enoxybutylcyclohexane

C14H26O — CID 57103459

IUPAC3-but-2-enoxybutylcyclohexane
SMILESCC=CCOC(C)CCC1CCCCC1
InChIInChI=1S/C14H26O/c1-3-4-12-15-13(2)10-11-14-8-6-5-7-9-14/h3-4,13-14H,5-12H2,1-2H3
InChIKeyYNUJHICALPHJGQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds6

About 3-but-2-enoxybutylcyclohexane

3-but-2-enoxybutylcyclohexane (PubChem CID 57103459) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-but-2-enoxybutylcyclohexane.

Molecular Properties

Compound Name3-but-2-enoxybutylcyclohexane
PubChem CID57103459
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-but-2-enoxybutylcyclohexane
SMILESCC=CCOC(C)CCC1CCCCC1
InChIInChI=1S/C14H26O/c1-3-4-12-15-13(2)10-11-14-8-6-5-7-9-14/h3-4,13-14H,5-12H2,1-2H3
InChIKeyYNUJHICALPHJGQ-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-but-2-enoxybutylcyclohexane?
The IUPAC name of 3-but-2-enoxybutylcyclohexane (CID 57103459) is 3-but-2-enoxybutylcyclohexane.
What is the SMILES notation for 3-but-2-enoxybutylcyclohexane?
The canonical SMILES for 3-but-2-enoxybutylcyclohexane is CC=CCOC(C)CCC1CCCCC1.
What is the InChIKey of 3-but-2-enoxybutylcyclohexane?
The InChIKey is YNUJHICALPHJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-4-12-15-13(2)10-11-14-8-6-5-7-9-14/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of 3-but-2-enoxybutylcyclohexane?
3-but-2-enoxybutylcyclohexane has a molecular weight of 210.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enoxybutylcyclohexane is sourced from PubChem (CID 57103459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).