(3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol

C16H30O2 — CID 46854954

IUPAC(3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol
SMILESC/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C/C=C/CC
InChIInChI=1S/C16H30O2/c1-6-8-10-12-15(17)14(4)16(18-5)13(3)11-9-7-2/h7-10,13-17H,6,11-12H2,1-5H3/b9-7+,10-8+/t13-,14-,15+,16+/m0/s1
InChIKeyYHZCRNHVLADXOA-DRRBSFAVSA-N
MW254.41 g/mol
LogP3.96
Rot. Bonds9

About (3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol

(3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol (PubChem CID 46854954) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol.

Molecular Properties

Compound Name(3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol
PubChem CID46854954
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol
SMILESC/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C/C=C/CC
InChIInChI=1S/C16H30O2/c1-6-8-10-12-15(17)14(4)16(18-5)13(3)11-9-7-2/h7-10,13-17H,6,11-12H2,1-5H3/b9-7+,10-8+/t13-,14-,15+,16+/m0/s1
InChIKeyYHZCRNHVLADXOA-DRRBSFAVSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol with MolForge

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Related Compounds

(3R)-2-[(E,2R,3S,4R,5S)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-enyl]-3-methyl-2,3-dihydropyran-6-one
CID 163838952
(E)-2-methylhept-5-en-3-ol
CID 12592438
(E,3R,4R,6R,7S,8R,9S)-8-methoxy-3-[(4-methoxyphenyl)methoxymethyl]-7,9-dimethyltridec-11-ene-4,6-diol
CID 11281645
(E,2R,3R)-1-amino-3-methylhept-5-en-2-ol
CID 163757336
(E,5S,6R)-6-methyldec-8-en-5-ol
CID 88893107
(E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol
CID 11481868
(E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol
CID 89149802
4-O-[(E,2R,3S,4R,5S)-1-[(2R,3R)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl] 1-O-methyl (E)-but-2-enedioate
CID 10717791
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386
ethane;(Z)-5-methoxyhex-2-ene
CID 145378965
(E)-3-hydroxy-4-methyloct-6-enoic acid
CID 87602853
(E)-3-aminooct-6-en-4-ol
CID 20676249

Frequently Asked Questions

What is the IUPAC name of (3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol?
The IUPAC name of (3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol (CID 46854954) is (3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol.
What is the SMILES notation for (3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol?
The canonical SMILES for (3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol is C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C/C=C/CC.
What is the InChIKey of (3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol?
The InChIKey is YHZCRNHVLADXOA-DRRBSFAVSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-8-10-12-15(17)14(4)16(18-5)13(3)11-9-7-2/h7-10,13-17H,6,11-12H2,1-5H3/b9-7+,10-8+/t13-,14-,15+,16+/m0/s1.
What are the key properties of (3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol?
(3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol has a molecular weight of 254.41 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6R,7S,8R,9S,11E)-8-methoxy-7,9-dimethyltrideca-3,11-dien-6-ol is sourced from PubChem (CID 46854954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).