1-cycloheptylethanol

C9H18O — CID 22923644

IUPAC1-cycloheptylethanol
SMILESCC(O)C1CCCCCC1
InChIInChI=1S/C9H18O/c1-8(10)9-6-4-2-3-5-7-9/h8-10H,2-7H2,1H3
InChIKeyVACFFEJPHIAXMP-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.34
Rot. Bonds1

About 1-cycloheptylethanol

1-cycloheptylethanol (PubChem CID 22923644) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-cycloheptylethanol.

Molecular Properties

Compound Name1-cycloheptylethanol
PubChem CID22923644
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-cycloheptylethanol
SMILESCC(O)C1CCCCCC1
InChIInChI=1S/C9H18O/c1-8(10)9-6-4-2-3-5-7-9/h8-10H,2-7H2,1H3
InChIKeyVACFFEJPHIAXMP-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylethanol?
The IUPAC name of 1-cycloheptylethanol (CID 22923644) is 1-cycloheptylethanol.
What is the SMILES notation for 1-cycloheptylethanol?
The canonical SMILES for 1-cycloheptylethanol is CC(O)C1CCCCCC1.
What is the InChIKey of 1-cycloheptylethanol?
The InChIKey is VACFFEJPHIAXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(10)9-6-4-2-3-5-7-9/h8-10H,2-7H2,1H3.
What are the key properties of 1-cycloheptylethanol?
1-cycloheptylethanol has a molecular weight of 142.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylethanol is sourced from PubChem (CID 22923644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).