2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol

C12H22O2 — CID 106651627

IUPAC2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol
SMILESCCOCC(C)(O)C1=CCCCCC1
InChIInChI=1S/C12H22O2/c1-3-14-10-12(2,13)11-8-6-4-5-7-9-11/h8,13H,3-7,9-10H2,1-2H3
InChIKeyZKQAORARZZGTQL-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.66
Rot. Bonds4

About 2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol

2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol (PubChem CID 106651627) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol
PubChem CID106651627
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol
SMILESCCOCC(C)(O)C1=CCCCCC1
InChIInChI=1S/C12H22O2/c1-3-14-10-12(2,13)11-8-6-4-5-7-9-11/h8,13H,3-7,9-10H2,1-2H3
InChIKeyZKQAORARZZGTQL-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol
CID 106654928
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
2-(cyclohexen-1-yl)pentane-2,4-diol
CID 14546133
2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol
CID 106654909
2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol
CID 106651664
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 106650901
2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
CID 106651265
2-[(1E)-cycloocten-1-yl]-1-(2-fluorophenyl)propan-2-ol
CID 106651662
2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol
CID 106654920
2-(cyclohexen-1-yl)but-3-en-2-ol
CID 11332570
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
1-(cycloocten-1-yl)-4-ethoxybutan-1-ol
CID 106657695

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol?
The IUPAC name of 2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol (CID 106651627) is 2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol.
What is the SMILES notation for 2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol?
The canonical SMILES for 2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol is CCOCC(C)(O)C1=CCCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol?
The InChIKey is ZKQAORARZZGTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-14-10-12(2,13)11-8-6-4-5-7-9-11/h8,13H,3-7,9-10H2,1-2H3.
What are the key properties of 2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol?
2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol is sourced from PubChem (CID 106651627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).