(3S)-3-ethyloctane-1,8-diol

C10H22O2 — CID 118889766

IUPAC(3S)-3-ethyloctane-1,8-diol
SMILESCC[C@H](CCO)CCCCCO
InChIInChI=1S/C10H22O2/c1-2-10(7-9-12)6-4-3-5-8-11/h10-12H,2-9H2,1H3/t10-/m0/s1
InChIKeySEGKJLWPIPSYSC-JTQLQIEISA-N
MW174.28 g/mol
LogP1.95
Rot. Bonds8

About (3S)-3-ethyloctane-1,8-diol

(3S)-3-ethyloctane-1,8-diol (PubChem CID 118889766) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is (3S)-3-ethyloctane-1,8-diol.

Molecular Properties

Compound Name(3S)-3-ethyloctane-1,8-diol
PubChem CID118889766
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name(3S)-3-ethyloctane-1,8-diol
SMILESCC[C@H](CCO)CCCCCO
InChIInChI=1S/C10H22O2/c1-2-10(7-9-12)6-4-3-5-8-11/h10-12H,2-9H2,1H3/t10-/m0/s1
InChIKeySEGKJLWPIPSYSC-JTQLQIEISA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-ethyldodecan-1-ol
CID 18475243
8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
CID 170925289
18-ethylhenicosan-1-ol
CID 87097708
(3R)-3-ethylhexane-1,6-diol
CID 118889856
5-ethyloctan-1-ol
CID 22492547
3,6-diethylnonane-1,9-diol
CID 19787583
4-ethyltridecan-1-ol
CID 20550506
3-octyldodecane-1,12-diol
CID 141481121
4-ethyldecan-1-ol
CID 91002231
azane;3-ethylhenicosan-1-ol
CID 174815540
6-ethyl-9,9-dimethyldecan-1-ol
CID 176971443
5-decylheptadecan-1-ol
CID 171774120

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyloctane-1,8-diol?
The IUPAC name of (3S)-3-ethyloctane-1,8-diol (CID 118889766) is (3S)-3-ethyloctane-1,8-diol.
What is the SMILES notation for (3S)-3-ethyloctane-1,8-diol?
The canonical SMILES for (3S)-3-ethyloctane-1,8-diol is CC[C@H](CCO)CCCCCO.
What is the InChIKey of (3S)-3-ethyloctane-1,8-diol?
The InChIKey is SEGKJLWPIPSYSC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22O2/c1-2-10(7-9-12)6-4-3-5-8-11/h10-12H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-ethyloctane-1,8-diol?
(3S)-3-ethyloctane-1,8-diol has a molecular weight of 174.28 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyloctane-1,8-diol is sourced from PubChem (CID 118889766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).