(E)-5-methoxy-4,8-dimethylnon-2-en-1-ol

C12H24O2 — CID 87272587

IUPAC(E)-5-methoxy-4,8-dimethylnon-2-en-1-ol
SMILESCOC(CCC(C)C)C(C)/C=C/CO
InChIInChI=1S/C12H24O2/c1-10(2)7-8-12(14-4)11(3)6-5-9-13/h5-6,10-13H,7-9H2,1-4H3/b6-5+
InChIKeyHBFBDQXOZNDRHF-AATRIKPKSA-N
MW200.32 g/mol
LogP2.62
Rot. Bonds7

About (E)-5-methoxy-4,8-dimethylnon-2-en-1-ol

(E)-5-methoxy-4,8-dimethylnon-2-en-1-ol (PubChem CID 87272587) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (E)-5-methoxy-4,8-dimethylnon-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-methoxy-4,8-dimethylnon-2-en-1-ol
PubChem CID87272587
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(E)-5-methoxy-4,8-dimethylnon-2-en-1-ol
SMILESCOC(CCC(C)C)C(C)/C=C/CO
InChIInChI=1S/C12H24O2/c1-10(2)7-8-12(14-4)11(3)6-5-9-13/h5-6,10-13H,7-9H2,1-4H3/b6-5+
InChIKeyHBFBDQXOZNDRHF-AATRIKPKSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-methoxy-4,7-dimethyloct-2-en-1-ol
CID 87273368
(E)-4-methylpent-2-en-1-ol
CID 5362786
(E,4S)-4-(methoxymethoxy)pent-2-en-1-ol
CID 11205834
(E)-5-methoxy-4-methyloct-2-enal
CID 87291582
(E)-5-hydroxy-2-methoxypent-3-enoic acid
CID 57173639
4-methylpent-2-ene-1,5-diol
CID 78100137
methyl 9-hydroxy-2-methylnona-3,5,7-trienoate
CID 141310266
(E)-3-[bis(3-methylbutyl)arsanyl]prop-2-en-1-ol
CID 12549402
(Z)-8-methylnon-2-en-1-ol
CID 14353387
(E)-4-methylhex-2-en-1-ol
CID 12036147
(E,4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-en-1-ol
CID 11824661
(2S,3R)-2,3-dimethoxybutane-1,4-diol
CID 119097957

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-4,8-dimethylnon-2-en-1-ol?
The IUPAC name of (E)-5-methoxy-4,8-dimethylnon-2-en-1-ol (CID 87272587) is (E)-5-methoxy-4,8-dimethylnon-2-en-1-ol.
What is the SMILES notation for (E)-5-methoxy-4,8-dimethylnon-2-en-1-ol?
The canonical SMILES for (E)-5-methoxy-4,8-dimethylnon-2-en-1-ol is COC(CCC(C)C)C(C)/C=C/CO.
What is the InChIKey of (E)-5-methoxy-4,8-dimethylnon-2-en-1-ol?
The InChIKey is HBFBDQXOZNDRHF-AATRIKPKSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)7-8-12(14-4)11(3)6-5-9-13/h5-6,10-13H,7-9H2,1-4H3/b6-5+.
What are the key properties of (E)-5-methoxy-4,8-dimethylnon-2-en-1-ol?
(E)-5-methoxy-4,8-dimethylnon-2-en-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-4,8-dimethylnon-2-en-1-ol is sourced from PubChem (CID 87272587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).