ethane;4-ethylhexan-3-ol

C10H24O — CID 142939598

IUPACethane;4-ethylhexan-3-ol
SMILESCC.CCC(O)C(CC)CC
InChIInChI=1S/C8H18O.C2H6/c1-4-7(5-2)8(9)6-3;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyKILXXVLGYADGOO-UHFFFAOYSA-N
MW160.30 g/mol
LogP3.22
Rot. Bonds4

About ethane;4-ethylhexan-3-ol

ethane;4-ethylhexan-3-ol (PubChem CID 142939598) has the molecular formula C10H24O and a molecular weight of 160.30 g/mol. Its IUPAC name is ethane;4-ethylhexan-3-ol.

Molecular Properties

Compound Nameethane;4-ethylhexan-3-ol
PubChem CID142939598
Molecular FormulaC10H24O
Molecular Weight160.30 g/mol
Exact Mass160.18
IUPAC Nameethane;4-ethylhexan-3-ol
SMILESCC.CCC(O)C(CC)CC
InChIInChI=1S/C8H18O.C2H6/c1-4-7(5-2)8(9)6-3;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyKILXXVLGYADGOO-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethylnonan-3-ol
CID 135150430
4-ethylhexane-1,3-diol
CID 57229845
5-ethylheptane-2,4-diol
CID 87867419
3,4-diethylhexane;ethane
CID 178112158
3,5-diethyloctane-3,6-diol
CID 87744706
3-ethyl-1-methoxypentan-2-ol
CID 79568083
(4R)-5-ethylhept-1-yn-4-ol
CID 130123346
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
1-sulfanyl-3-(sulfanylmethyl)pentan-2-ol
CID 155461515
(2S,3R)-1,2-dibromopentan-3-ol
CID 14935814
pentan-3-ol;dihydrochloride
CID 141116397
(2S,3S)-pentane-1,2,3-triol
CID 11636797

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylhexan-3-ol?
The IUPAC name of ethane;4-ethylhexan-3-ol (CID 142939598) is ethane;4-ethylhexan-3-ol.
What is the SMILES notation for ethane;4-ethylhexan-3-ol?
The canonical SMILES for ethane;4-ethylhexan-3-ol is CC.CCC(O)C(CC)CC.
What is the InChIKey of ethane;4-ethylhexan-3-ol?
The InChIKey is KILXXVLGYADGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C2H6/c1-4-7(5-2)8(9)6-3;1-2/h7-9H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethylhexan-3-ol?
ethane;4-ethylhexan-3-ol has a molecular weight of 160.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylhexan-3-ol is sourced from PubChem (CID 142939598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).