2-ethyl-3-methylpentane-1,1-diol

C8H18O2 — CID 151142103

IUPAC2-ethyl-3-methylpentane-1,1-diol
SMILESCCC(C)C(CC)C(O)O
InChIInChI=1S/C8H18O2/c1-4-6(3)7(5-2)8(9)10/h6-10H,4-5H2,1-3H3
InChIKeyMWKOADRJQAKTBR-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.37
Rot. Bonds4

About 2-ethyl-3-methylpentane-1,1-diol

2-ethyl-3-methylpentane-1,1-diol (PubChem CID 151142103) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-ethyl-3-methylpentane-1,1-diol.

Molecular Properties

Compound Name2-ethyl-3-methylpentane-1,1-diol
PubChem CID151142103
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-ethyl-3-methylpentane-1,1-diol
SMILESCCC(C)C(CC)C(O)O
InChIInChI=1S/C8H18O2/c1-4-6(3)7(5-2)8(9)10/h6-10H,4-5H2,1-3H3
InChIKeyMWKOADRJQAKTBR-UHFFFAOYSA-N
XLogP1.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
(2S,3S)-2-[(2S)-butan-2-yl]butane-1,3-diol
CID 89307443
(2S,3R)-3-methylpentan-2-ol
CID 6993006
aluminum butan-2-ol
CID 23623700
3-ethyl-N,4-dimethylhexan-2-amine
CID 163950897
4,5,7-triethyl-3-methyl-6-propyldecane
CID 91308748
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
5-methylheptane-3,4-diol
CID 21486220
(1R)-1-methoxy-2-methylbutan-1-ol
CID 88580756
4-ethyl-2,5-dimethylhexan-3-ol
CID 79298861
(2S,3S)-2-iodo-3-methylpentane
CID 88913110
2-(aminomethyl)-3-ethyl-4-methylhexanoic acid
CID 87760258

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylpentane-1,1-diol?
The IUPAC name of 2-ethyl-3-methylpentane-1,1-diol (CID 151142103) is 2-ethyl-3-methylpentane-1,1-diol.
What is the SMILES notation for 2-ethyl-3-methylpentane-1,1-diol?
The canonical SMILES for 2-ethyl-3-methylpentane-1,1-diol is CCC(C)C(CC)C(O)O.
What is the InChIKey of 2-ethyl-3-methylpentane-1,1-diol?
The InChIKey is MWKOADRJQAKTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-6(3)7(5-2)8(9)10/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-3-methylpentane-1,1-diol?
2-ethyl-3-methylpentane-1,1-diol has a molecular weight of 146.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylpentane-1,1-diol is sourced from PubChem (CID 151142103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).