4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol

C10H20O2 — CID 82713966

IUPAC4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(CO)CC1
InChIInChI=1S/C10H20O2/c1-2-9-4-3-6-10(12,8-11)7-5-9/h9,11-12H,2-8H2,1H3
InChIKeySUJURRLAWHGCHU-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.70
Rot. Bonds2

About 4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol

4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol (PubChem CID 82713966) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol
PubChem CID82713966
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(CO)CC1
InChIInChI=1S/C10H20O2/c1-2-9-4-3-6-10(12,8-11)7-5-9/h9,11-12H,2-8H2,1H3
InChIKeySUJURRLAWHGCHU-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-but-3-ynyl-4-ethylcycloheptan-1-ol
CID 65085476
4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol
CID 65151311
1-(hydroxymethyl)cyclooctane-1,5-diol
CID 11816153
4-ethyl-1-(4-ethylcyclohexyl)cycloheptan-1-ol
CID 65085835
1-(cyclopentylmethyl)-3-ethylcyclohexan-1-ol
CID 65149112
4-ethyl-1-propan-2-ylcycloheptan-1-ol
CID 65085832
1-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexan-1-ol
CID 139648654
1-cycloheptyl-4-ethylcycloheptan-1-ol
CID 82929121
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
(1-amino-4-ethylcyclohexyl)methanol
CID 61055822
cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid
CID 124509233

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol (CID 82713966) is 4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol is CCC1CCCC(O)(CO)CC1.
What is the InChIKey of 4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol?
The InChIKey is SUJURRLAWHGCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-9-4-3-6-10(12,8-11)7-5-9/h9,11-12H,2-8H2,1H3.
What are the key properties of 4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol?
4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol is sourced from PubChem (CID 82713966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).