(2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol

C17H28O — CID 101160594

IUPAC(2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol
SMILESC=CCC/C=C(\C)CCC[C@@](C)(O)/C=C/C=C/C
InChIInChI=1S/C17H28O/c1-5-7-9-12-16(3)13-11-15-17(4,18)14-10-8-6-2/h5-6,8,10,12,14,18H,1,7,9,11,13,15H2,2-4H3/b8-6+,14-10+,16-12+/t17-/m0/s1
InChIKeyIJMKBTIFAFPFSD-FLIANPARSA-N
MW248.41 g/mol
LogP4.95
Rot. Bonds9

About (2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol

(2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol (PubChem CID 101160594) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol.

Molecular Properties

Compound Name(2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol
PubChem CID101160594
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol
SMILESC=CCC/C=C(\C)CCC[C@@](C)(O)/C=C/C=C/C
InChIInChI=1S/C17H28O/c1-5-7-9-12-16(3)13-11-15-17(4,18)14-10-8-6-2/h5-6,8,10,12,14,18H,1,7,9,11,13,15H2,2-4H3/b8-6+,14-10+,16-12+/t17-/m0/s1
InChIKeyIJMKBTIFAFPFSD-FLIANPARSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

Analyze (2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol with MolForge

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Related Compounds

6-methyldeca-1,5,8-triene
CID 150645087
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600
3-methylocta-4,6-dien-3-ol
CID 71319596
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol
CID 73017728
(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one
CID 14537577
methyl (5E,9E,13E)-5,9,13-trimethyloctadeca-5,9,13,17-tetraenoate
CID 10544590
(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031
3,7,11-trimethylhexadeca-6,10-dien-3-ol
CID 72571502
3-methylocta-3,7-diene-1-sulfonic acid
CID 175278348
1-chloro-8,8,8-trifluoro-4-methyloct-3-ene
CID 115519676
(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
CID 15602246
11-methyltrideca-1,11-diene
CID 139774754

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol?
The IUPAC name of (2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol (CID 101160594) is (2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol.
What is the SMILES notation for (2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol?
The canonical SMILES for (2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol is C=CCC/C=C(\C)CCC[C@@](C)(O)/C=C/C=C/C.
What is the InChIKey of (2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol?
The InChIKey is IJMKBTIFAFPFSD-FLIANPARSA-N. The full InChI is InChI=1S/C17H28O/c1-5-7-9-12-16(3)13-11-15-17(4,18)14-10-8-6-2/h5-6,8,10,12,14,18H,1,7,9,11,13,15H2,2-4H3/b8-6+,14-10+,16-12+/t17-/m0/s1.
What are the key properties of (2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol?
(2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol has a molecular weight of 248.41 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol is sourced from PubChem (CID 101160594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).