5-methoxy-7,7-dimethylnon-2-en-1-ol

C12H24O2 — CID 123384479

IUPAC5-methoxy-7,7-dimethylnon-2-en-1-ol
SMILESCCC(C)(C)CC(CC=CCO)OC
InChIInChI=1S/C12H24O2/c1-5-12(2,3)10-11(14-4)8-6-7-9-13/h6-7,11,13H,5,8-10H2,1-4H3
InChIKeyRHHOMACSIRXIPK-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.77
Rot. Bonds7

About 5-methoxy-7,7-dimethylnon-2-en-1-ol

5-methoxy-7,7-dimethylnon-2-en-1-ol (PubChem CID 123384479) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 5-methoxy-7,7-dimethylnon-2-en-1-ol.

Molecular Properties

Compound Name5-methoxy-7,7-dimethylnon-2-en-1-ol
PubChem CID123384479
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name5-methoxy-7,7-dimethylnon-2-en-1-ol
SMILESCCC(C)(C)CC(CC=CCO)OC
InChIInChI=1S/C12H24O2/c1-5-12(2,3)10-11(14-4)8-6-7-9-13/h6-7,11,13H,5,8-10H2,1-4H3
InChIKeyRHHOMACSIRXIPK-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methoxy-7,7-dimethylnon-2-en-1-ol 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

(4Z,7Z,10Z,13Z,16Z,19Z)-2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 25122253
2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 91147022
(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol
CID 135076282
(E)-5,5-diethoxypent-2-en-1-ol
CID 12533995
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10424227
5-methylhex-2-en-1-ol
CID 12538351
3-ethyl-2-(hydroxymethyl)-5-methoxy-3-methylheptanal
CID 123167680
4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine
CID 129042330
(3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate
CID 59866383
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
1,1-dibromo-3,3-dimethylpentane
CID 19884394

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7,7-dimethylnon-2-en-1-ol?
The IUPAC name of 5-methoxy-7,7-dimethylnon-2-en-1-ol (CID 123384479) is 5-methoxy-7,7-dimethylnon-2-en-1-ol.
What is the SMILES notation for 5-methoxy-7,7-dimethylnon-2-en-1-ol?
The canonical SMILES for 5-methoxy-7,7-dimethylnon-2-en-1-ol is CCC(C)(C)CC(CC=CCO)OC.
What is the InChIKey of 5-methoxy-7,7-dimethylnon-2-en-1-ol?
The InChIKey is RHHOMACSIRXIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-12(2,3)10-11(14-4)8-6-7-9-13/h6-7,11,13H,5,8-10H2,1-4H3.
What are the key properties of 5-methoxy-7,7-dimethylnon-2-en-1-ol?
5-methoxy-7,7-dimethylnon-2-en-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7,7-dimethylnon-2-en-1-ol is sourced from PubChem (CID 123384479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).