(2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol

C15H26O2 — CID 162879935

IUPAC(2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
SMILESC=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CO
InChIInChI=1S/C15H26O2/c1-5-15(4,17)11-7-10-13(2)8-6-9-14(3)12-16/h5,9-10,16-17H,1,6-8,11-12H2,2-4H3/b13-10+,14-9+/t15-/m1/s1
InChIKeyYXIFOKDKHGSQOB-GXBUMDJISA-N
MW238.37 g/mol
LogP3.37
Rot. Bonds8

About (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol

(2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol (PubChem CID 162879935) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol.

Molecular Properties

Compound Name(2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
PubChem CID162879935
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
SMILESC=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CO
InChIInChI=1S/C15H26O2/c1-5-15(4,17)11-7-10-13(2)8-6-9-14(3)12-16/h5,9-10,16-17H,1,6-8,11-12H2,2-4H3/b13-10+,14-9+/t15-/m1/s1
InChIKeyYXIFOKDKHGSQOB-GXBUMDJISA-N
XLogP3.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Linalool
CID 6549
Nerolidol
CID 5284507
Linalool, (+)-
CID 67179
(-)-Linalool
CID 443158
Peruviol
CID 5356544
Ethyl linalool
CID 6433547
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-
CID 5320128
2,6-Dimethyl-2,6-octadiene-1,8-diol, (2E,6E)-
CID 5363397
Ipsdienol
CID 92301
3,7,11-Trimethyldodeca-1,6,10-trien-3-ol
CID 8888
(3S,6E)-Nerolidol
CID 5281525
(6E)-8-Hydroxylinalool
CID 5280678

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol?
The IUPAC name of (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol (CID 162879935) is (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol.
What is the SMILES notation for (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol?
The canonical SMILES for (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol is C=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CO.
What is the InChIKey of (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol?
The InChIKey is YXIFOKDKHGSQOB-GXBUMDJISA-N. The full InChI is InChI=1S/C15H26O2/c1-5-15(4,17)11-7-10-13(2)8-6-9-14(3)12-16/h5,9-10,16-17H,1,6-8,11-12H2,2-4H3/b13-10+,14-9+/t15-/m1/s1.
What are the key properties of (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol?
(2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol has a molecular weight of 238.37 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol is sourced from PubChem (CID 162879935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).