3-methoxybut-3-en-2-ylcyclohexane

C11H20O — CID 89035659

IUPAC3-methoxybut-3-en-2-ylcyclohexane
SMILESC=C(OC)C(C)C1CCCCC1
InChIInChI=1S/C11H20O/c1-9(10(2)12-3)11-7-5-4-6-8-11/h9,11H,2,4-8H2,1,3H3
InChIKeyLIHPLXAHAZXXBM-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds3

About 3-methoxybut-3-en-2-ylcyclohexane

3-methoxybut-3-en-2-ylcyclohexane (PubChem CID 89035659) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methoxybut-3-en-2-ylcyclohexane.

Molecular Properties

Compound Name3-methoxybut-3-en-2-ylcyclohexane
PubChem CID89035659
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methoxybut-3-en-2-ylcyclohexane
SMILESC=C(OC)C(C)C1CCCCC1
InChIInChI=1S/C11H20O/c1-9(10(2)12-3)11-7-5-4-6-8-11/h9,11H,2,4-8H2,1,3H3
InChIKeyLIHPLXAHAZXXBM-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxybut-3-en-2-ylcyclohexane?
The IUPAC name of 3-methoxybut-3-en-2-ylcyclohexane (CID 89035659) is 3-methoxybut-3-en-2-ylcyclohexane.
What is the SMILES notation for 3-methoxybut-3-en-2-ylcyclohexane?
The canonical SMILES for 3-methoxybut-3-en-2-ylcyclohexane is C=C(OC)C(C)C1CCCCC1.
What is the InChIKey of 3-methoxybut-3-en-2-ylcyclohexane?
The InChIKey is LIHPLXAHAZXXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(10(2)12-3)11-7-5-4-6-8-11/h9,11H,2,4-8H2,1,3H3.
What are the key properties of 3-methoxybut-3-en-2-ylcyclohexane?
3-methoxybut-3-en-2-ylcyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybut-3-en-2-ylcyclohexane is sourced from PubChem (CID 89035659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).