2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane

C14H26O — CID 70191090

IUPAC2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane
SMILESC=CC(C)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H26O/c1-6-12(5)15-14-9-11(4)7-8-13(14)10(2)3/h6,10-14H,1,7-9H2,2-5H3
InChIKeyCJCVZQVJUWUICL-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.04
Rot. Bonds4

About 2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane

2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 70191090) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane
PubChem CID70191090
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane
SMILESC=CC(C)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H26O/c1-6-12(5)15-14-9-11(4)7-8-13(14)10(2)3/h6,10-14H,1,7-9H2,2-5H3
InChIKeyCJCVZQVJUWUICL-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.04
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 2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane (CID 70191090) is 2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane is C=CC(C)OC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is CJCVZQVJUWUICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-6-12(5)15-14-9-11(4)7-8-13(14)10(2)3/h6,10-14H,1,7-9H2,2-5H3.
What are the key properties of 2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane?
2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 210.36 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxy-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 70191090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).