(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol

C15H26O2 — CID 10922612

IUPAC(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol
SMILESC=CC[C@@H](CC/C(C)=C/C=C/CCCO)OC
InChIInChI=1S/C15H26O2/c1-4-9-15(17-3)12-11-14(2)10-7-5-6-8-13-16/h4-5,7,10,15-16H,1,6,8-9,11-13H2,2-3H3/b7-5+,14-10+/t15-/m0/s1
InChIKeyHUWREOAELWRMFF-KCQUFVDESA-N
MW238.37 g/mol
LogP3.63
Rot. Bonds10

About (4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol

(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol (PubChem CID 10922612) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol.

Molecular Properties

Compound Name(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol
PubChem CID10922612
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol
SMILESC=CC[C@@H](CC/C(C)=C/C=C/CCCO)OC
InChIInChI=1S/C15H26O2/c1-4-9-15(17-3)12-11-14(2)10-7-5-6-8-13-16/h4-5,7,10,15-16H,1,6,8-9,11-13H2,2-3H3/b7-5+,14-10+/t15-/m0/s1
InChIKeyHUWREOAELWRMFF-KCQUFVDESA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E,7E,11R)-11-methoxy-8-methyltetradeca-5,7,13-trienal
CID 102001360
tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane
CID 10504788
(4R)-2-tert-butyl-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-4,5-dihydro-1,3-oxazole
CID 10109134
(4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene
CID 139718586
(4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol
CID 10903884
(4E)-7-methylocta-4,6-dien-1-ol
CID 14250388
2-methoxypent-4-en-1-ol
CID 90985403
(2S,6R)-6-methoxynon-8-en-2-ol
CID 46186048
4-methoxynon-1-ene
CID 13284925
4,5-dimethoxypent-1-ene
CID 73040162
[(4R,7E,9E,13Z)-7-methyl-14-[(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazol-4-yl]tetradeca-1,7,9,13-tetraen-4-yl] benzoate
CID 73354445
3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol
CID 139513174

Frequently Asked Questions

What is the IUPAC name of (4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol?
The IUPAC name of (4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol (CID 10922612) is (4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol.
What is the SMILES notation for (4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol?
The canonical SMILES for (4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol is C=CC[C@@H](CC/C(C)=C/C=C/CCCO)OC.
What is the InChIKey of (4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol?
The InChIKey is HUWREOAELWRMFF-KCQUFVDESA-N. The full InChI is InChI=1S/C15H26O2/c1-4-9-15(17-3)12-11-14(2)10-7-5-6-8-13-16/h4-5,7,10,15-16H,1,6,8-9,11-13H2,2-3H3/b7-5+,14-10+/t15-/m0/s1.
What are the key properties of (4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol?
(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol is sourced from PubChem (CID 10922612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).