5-ethyl-3-methyloctane-1,1-diol

C11H24O2 — CID 175418461

IUPAC5-ethyl-3-methyloctane-1,1-diol
SMILESCCCC(CC)CC(C)CC(O)O
InChIInChI=1S/C11H24O2/c1-4-6-10(5-2)7-9(3)8-11(12)13/h9-13H,4-8H2,1-3H3
InChIKeyCWHHYUCALANLPV-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.54
Rot. Bonds7

About 5-ethyl-3-methyloctane-1,1-diol

5-ethyl-3-methyloctane-1,1-diol (PubChem CID 175418461) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 5-ethyl-3-methyloctane-1,1-diol.

Molecular Properties

Compound Name5-ethyl-3-methyloctane-1,1-diol
PubChem CID175418461
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name5-ethyl-3-methyloctane-1,1-diol
SMILESCCCC(CC)CC(C)CC(O)O
InChIInChI=1S/C11H24O2/c1-4-6-10(5-2)7-9(3)8-11(12)13/h9-13H,4-8H2,1-3H3
InChIKeyCWHHYUCALANLPV-UHFFFAOYSA-N
XLogP2.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.54
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

(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
8-ethyl-4,6-dimethyldodecane
CID 123186055
2,4-dimethyl-6-propylnonane
CID 57492214
4-ethyl-2-methylheptane;methane
CID 160575103
(2R,4R)-4-methyl-2-propylhexan-1-ol
CID 92950667
6-ethyl-4-methyldecane
CID 22224210
7-ethyl-3,5,9-trimethyldodecane
CID 123315944
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
5-ethyloctan-2-ol
CID 20725141
4,6-dimethyl-2-propylheptan-1-ol
CID 122367214
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
3,5-diethyl-2-methyloctane
CID 57491216

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyloctane-1,1-diol?
The IUPAC name of 5-ethyl-3-methyloctane-1,1-diol (CID 175418461) is 5-ethyl-3-methyloctane-1,1-diol.
What is the SMILES notation for 5-ethyl-3-methyloctane-1,1-diol?
The canonical SMILES for 5-ethyl-3-methyloctane-1,1-diol is CCCC(CC)CC(C)CC(O)O.
What is the InChIKey of 5-ethyl-3-methyloctane-1,1-diol?
The InChIKey is CWHHYUCALANLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-6-10(5-2)7-9(3)8-11(12)13/h9-13H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-3-methyloctane-1,1-diol?
5-ethyl-3-methyloctane-1,1-diol has a molecular weight of 188.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyloctane-1,1-diol is sourced from PubChem (CID 175418461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).