3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane

C34H84O — CID 158040409

IUPAC3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane
SMILESCC.CC.CC.CC.CC.CC.CCC(C)CCC(C)CCO.CCCC(C)CCC(CC)CC
InChIInChI=1S/C12H26.C10H22O.6C2H6/c1-5-8-11(4)9-10-12(6-2)7-3;1-4-9(2)5-6-10(3)7-8-11;6*1-2/h11-12H,5-10H2,1-4H3;9-11H,4-8H2,1-3H3;6*1-2H3
InChIKeyFIHAPFVOZFUZAJ-UHFFFAOYSA-N
MW509.05 g/mol
LogP13.63
Rot. Bonds13

About 3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane

3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane (PubChem CID 158040409) has the molecular formula C34H84O and a molecular weight of 509.05 g/mol. Its IUPAC name is 3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane.

Molecular Properties

Compound Name3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane
PubChem CID158040409
Molecular FormulaC34H84O
Molecular Weight509.05 g/mol
Exact Mass508.65
IUPAC Name3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane
SMILESCC.CC.CC.CC.CC.CC.CCC(C)CCC(C)CCO.CCCC(C)CCC(CC)CC
InChIInChI=1S/C12H26.C10H22O.6C2H6/c1-5-8-11(4)9-10-12(6-2)7-3;1-4-9(2)5-6-10(3)7-8-11;6*1-2/h11-12H,5-10H2,1-4H3;9-11H,4-8H2,1-3H3;6*1-2H3
InChIKeyFIHAPFVOZFUZAJ-UHFFFAOYSA-N
XLogP13.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.05
LogP ≤ 513.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-3-methylnonane;methane
CID 142358245
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
(3R,6R)-3,6-dimethylnonane
CID 170848352
4-ethyl-2,7-dimethylnonane-1,9-diol
CID 91142814
3-ethyl-6,11-dimethyltridecane
CID 123237146
3-ethyl-6-methyldecane
CID 57490928
4,7-dimethylnonan-1-ol
CID 87272409
4-ethylheptane;3-methylheptane
CID 143099611
6-ethyl-3,4,9-trimethyldodecane
CID 91130584
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
3-methylhexane;2-methylprop-1-ene
CID 165405684

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane?
The IUPAC name of 3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane (CID 158040409) is 3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane.
What is the SMILES notation for 3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane?
The canonical SMILES for 3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane is CC.CC.CC.CC.CC.CC.CCC(C)CCC(C)CCO.CCCC(C)CCC(CC)CC.
What is the InChIKey of 3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane?
The InChIKey is FIHAPFVOZFUZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C10H22O.6C2H6/c1-5-8-11(4)9-10-12(6-2)7-3;1-4-9(2)5-6-10(3)7-8-11;6*1-2/h11-12H,5-10H2,1-4H3;9-11H,4-8H2,1-3H3;6*1-2H3.
What are the key properties of 3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane?
3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane has a molecular weight of 509.05 g/mol, XLogP of 13.63, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane is sourced from PubChem (CID 158040409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).