2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol

C14H26O2 — CID 90932514

IUPAC2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol
SMILESCC1(C)C=C(CCOC(C)(C)CO)CCC1
InChIInChI=1S/C14H26O2/c1-13(2)8-5-6-12(10-13)7-9-16-14(3,4)11-15/h10,15H,5-9,11H2,1-4H3
InChIKeyDEWVMPGCOQWQDU-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.30
Rot. Bonds5

About 2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol

2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol (PubChem CID 90932514) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol
PubChem CID90932514
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol
SMILESCC1(C)C=C(CCOC(C)(C)CO)CCC1
InChIInChI=1S/C14H26O2/c1-13(2)8-5-6-12(10-13)7-9-16-14(3,4)11-15/h10,15H,5-9,11H2,1-4H3
InChIKeyDEWVMPGCOQWQDU-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol (CID 90932514) is 2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol is CC1(C)C=C(CCOC(C)(C)CO)CCC1.
What is the InChIKey of 2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol?
The InChIKey is DEWVMPGCOQWQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2)8-5-6-12(10-13)7-9-16-14(3,4)11-15/h10,15H,5-9,11H2,1-4H3.
What are the key properties of 2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol?
2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 90932514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).