1,1,3-trimethyl-5-prop-2-enoxycyclohexane

C12H22O — CID 3644009

IUPAC1,1,3-trimethyl-5-prop-2-enoxycyclohexane
SMILESC=CCOC1CC(C)CC(C)(C)C1
InChIInChI=1S/C12H22O/c1-5-6-13-11-7-10(2)8-12(3,4)9-11/h5,10-11H,1,6-9H2,2-4H3
InChIKeyBEHOWBXUAQWFSY-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.40
Rot. Bonds3

About 1,1,3-trimethyl-5-prop-2-enoxycyclohexane

1,1,3-trimethyl-5-prop-2-enoxycyclohexane (PubChem CID 3644009) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1,1,3-trimethyl-5-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name1,1,3-trimethyl-5-prop-2-enoxycyclohexane
PubChem CID3644009
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1,1,3-trimethyl-5-prop-2-enoxycyclohexane
SMILESC=CCOC1CC(C)CC(C)(C)C1
InChIInChI=1S/C12H22O/c1-5-6-13-11-7-10(2)8-12(3,4)9-11/h5,10-11H,1,6-9H2,2-4H3
InChIKeyBEHOWBXUAQWFSY-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.40
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 1,1,3-trimethyl-5-prop-2-enoxycyclohexane?
The IUPAC name of 1,1,3-trimethyl-5-prop-2-enoxycyclohexane (CID 3644009) is 1,1,3-trimethyl-5-prop-2-enoxycyclohexane.
What is the SMILES notation for 1,1,3-trimethyl-5-prop-2-enoxycyclohexane?
The canonical SMILES for 1,1,3-trimethyl-5-prop-2-enoxycyclohexane is C=CCOC1CC(C)CC(C)(C)C1.
What is the InChIKey of 1,1,3-trimethyl-5-prop-2-enoxycyclohexane?
The InChIKey is BEHOWBXUAQWFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-6-13-11-7-10(2)8-12(3,4)9-11/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 1,1,3-trimethyl-5-prop-2-enoxycyclohexane?
1,1,3-trimethyl-5-prop-2-enoxycyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-5-prop-2-enoxycyclohexane is sourced from PubChem (CID 3644009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).