(4S)-4-methoxy-8,8-dimethylnonan-1-ol

C12H26O2 — CID 118887633

IUPAC(4S)-4-methoxy-8,8-dimethylnonan-1-ol
SMILESCO[C@H](CCCO)CCCC(C)(C)C
InChIInChI=1S/C12H26O2/c1-12(2,3)9-5-7-11(14-4)8-6-10-13/h11,13H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyMIAQCZLUCOSSAW-NSHDSACASA-N
MW202.34 g/mol
LogP2.99
Rot. Bonds7

About (4S)-4-methoxy-8,8-dimethylnonan-1-ol

(4S)-4-methoxy-8,8-dimethylnonan-1-ol (PubChem CID 118887633) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is (4S)-4-methoxy-8,8-dimethylnonan-1-ol.

Molecular Properties

Compound Name(4S)-4-methoxy-8,8-dimethylnonan-1-ol
PubChem CID118887633
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name(4S)-4-methoxy-8,8-dimethylnonan-1-ol
SMILESCO[C@H](CCCO)CCCC(C)(C)C
InChIInChI=1S/C12H26O2/c1-12(2,3)9-5-7-11(14-4)8-6-10-13/h11,13H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyMIAQCZLUCOSSAW-NSHDSACASA-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

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Related Compounds

(6R)-6-methoxy-2,2,12-trimethyltridecane
CID 118887775
(4S)-4-methoxyundecan-1-ol
CID 53329455
4,4-dimethylpentan-1-ol;tungsten
CID 140674577
(6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine
CID 118887783
1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine
CID 118887650
1,2-dimethoxy-5,5-dimethylhexane
CID 154608131
2-methoxyoctadecane-1,18-diol
CID 139894208
1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine
CID 118887718
1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine
CID 118887652
7-methoxynonan-1-ol
CID 91306225
12-methoxyoctadecan-1-ol
CID 18347175
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-8,8-dimethylnonan-1-ol?
The IUPAC name of (4S)-4-methoxy-8,8-dimethylnonan-1-ol (CID 118887633) is (4S)-4-methoxy-8,8-dimethylnonan-1-ol.
What is the SMILES notation for (4S)-4-methoxy-8,8-dimethylnonan-1-ol?
The canonical SMILES for (4S)-4-methoxy-8,8-dimethylnonan-1-ol is CO[C@H](CCCO)CCCC(C)(C)C.
What is the InChIKey of (4S)-4-methoxy-8,8-dimethylnonan-1-ol?
The InChIKey is MIAQCZLUCOSSAW-NSHDSACASA-N. The full InChI is InChI=1S/C12H26O2/c1-12(2,3)9-5-7-11(14-4)8-6-10-13/h11,13H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (4S)-4-methoxy-8,8-dimethylnonan-1-ol?
(4S)-4-methoxy-8,8-dimethylnonan-1-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 (4S)-4-methoxy-8,8-dimethylnonan-1-ol is sourced from PubChem (CID 118887633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).