6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol

C9H18O8 — CID 174342158

IUPAC6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol
SMILESCCC1CC(O)(O)C(O)(O)C(O)(O)C(O)(O)C1
InChIInChI=1S/C9H18O8/c1-2-5-3-6(10,11)8(14,15)9(16,17)7(12,13)4-5/h5,10-17H,2-4H2,1H3
InChIKeyGRKSVLPOJSWSRT-UHFFFAOYSA-N
MW254.23 g/mol
LogP-3.47
Rot. Bonds1

About 6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol

6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol (PubChem CID 174342158) has the molecular formula C9H18O8 and a molecular weight of 254.23 g/mol. Its IUPAC name is 6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol.

Molecular Properties

Compound Name6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol
PubChem CID174342158
Molecular FormulaC9H18O8
Molecular Weight254.23 g/mol
Exact Mass254.10
IUPAC Name6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol
SMILESCCC1CC(O)(O)C(O)(O)C(O)(O)C(O)(O)C1
InChIInChI=1S/C9H18O8/c1-2-5-3-6(10,11)8(14,15)9(16,17)7(12,13)4-5/h5,10-17H,2-4H2,1H3
InChIKeyGRKSVLPOJSWSRT-UHFFFAOYSA-N
XLogP-3.47
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.23
LogP ≤ 5-3.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-hydroxycyclobutane-1-carboxylic acid
CID 90717755
(6-ethylspiro[3.3]heptan-2-yl)methanol
CID 122429211
3-ethyl-1,1-difluorocyclobutane
CID 67229999
1,3-diethyl-1-methylcyclobutane
CID 21053928
2-ethylspiro[3.3]heptane
CID 123395058
1-(cyclopropylmethyl)-2-ethylcyclopropan-1-ol
CID 79333627
1-amino-2-ethylcyclopropan-1-ol
CID 163837248
1-(3-ethyl-1-methylcyclobutyl)-N-methylmethanamine
CID 144959296
cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol
CID 15528876
1-ethenyl-3-ethylcyclopentan-1-ol
CID 65419295
3-propylcyclobutane-1,1-diol
CID 18328679
3-amino-1-ethylcyclobutan-1-ol
CID 80561372

Frequently Asked Questions

What is the IUPAC name of 6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol?
The IUPAC name of 6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol (CID 174342158) is 6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol.
What is the SMILES notation for 6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol?
The canonical SMILES for 6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol is CCC1CC(O)(O)C(O)(O)C(O)(O)C(O)(O)C1.
What is the InChIKey of 6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol?
The InChIKey is GRKSVLPOJSWSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O8/c1-2-5-3-6(10,11)8(14,15)9(16,17)7(12,13)4-5/h5,10-17H,2-4H2,1H3.
What are the key properties of 6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol?
6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol has a molecular weight of 254.23 g/mol, XLogP of -3.47, 1 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylcycloheptane-1,1,2,2,3,3,4,4-octol is sourced from PubChem (CID 174342158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).