1-methoxy-8,8-dimethylnonan-2-ol

C12H26O2 — CID 147170172

IUPAC1-methoxy-8,8-dimethylnonan-2-ol
SMILESCOCC(O)CCCCCC(C)(C)C
InChIInChI=1S/C12H26O2/c1-12(2,3)9-7-5-6-8-11(13)10-14-4/h11,13H,5-10H2,1-4H3
InChIKeyBXOHVMGZTHWDHQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.99
Rot. Bonds7

About 1-methoxy-8,8-dimethylnonan-2-ol

1-methoxy-8,8-dimethylnonan-2-ol (PubChem CID 147170172) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-methoxy-8,8-dimethylnonan-2-ol.

Molecular Properties

Compound Name1-methoxy-8,8-dimethylnonan-2-ol
PubChem CID147170172
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-methoxy-8,8-dimethylnonan-2-ol
SMILESCOCC(O)CCCCCC(C)(C)C
InChIInChI=1S/C12H26O2/c1-12(2,3)9-7-5-6-8-11(13)10-14-4/h11,13H,5-10H2,1-4H3
InChIKeyBXOHVMGZTHWDHQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyldecan-3-ol
CID 156689502
1-(4,4-dimethylpentoxy)-4-methoxybutan-2-ol
CID 161370706
9,9-dimethyldecan-4-ol
CID 18798749
2,2-dimethyldodecan-6-ol
CID 175569881
methyl 13-hydroxy-14-methoxytetradecanoate
CID 154249290
2,2,8,8-tetramethylnonan-4-ol
CID 19931283
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol
CID 177262274
4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
CID 106246562
2,14-dimethylpentadecane-2,8,14-triol
CID 88582277
methyl 3,20,20-trimethylhenicosanoate
CID 568121
1,1-difluoro-6,6-dimethylheptane
CID 162546967

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-8,8-dimethylnonan-2-ol?
The IUPAC name of 1-methoxy-8,8-dimethylnonan-2-ol (CID 147170172) is 1-methoxy-8,8-dimethylnonan-2-ol.
What is the SMILES notation for 1-methoxy-8,8-dimethylnonan-2-ol?
The canonical SMILES for 1-methoxy-8,8-dimethylnonan-2-ol is COCC(O)CCCCCC(C)(C)C.
What is the InChIKey of 1-methoxy-8,8-dimethylnonan-2-ol?
The InChIKey is BXOHVMGZTHWDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-12(2,3)9-7-5-6-8-11(13)10-14-4/h11,13H,5-10H2,1-4H3.
What are the key properties of 1-methoxy-8,8-dimethylnonan-2-ol?
1-methoxy-8,8-dimethylnonan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8,8-dimethylnonan-2-ol is sourced from PubChem (CID 147170172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).