(2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol

C10H18O — CID 135000910

IUPAC(2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol
SMILESC=C[C@H](C)C[C@@H](O)/C(C)=C/C
InChIInChI=1S/C10H18O/c1-5-8(3)7-10(11)9(4)6-2/h5-6,8,10-11H,1,7H2,2-4H3/b9-6+/t8-,10+/m0/s1
InChIKeyGTEBFRIDFXESLN-YSPXFBHJSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds4

About (2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol

(2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol (PubChem CID 135000910) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol.

Molecular Properties

Compound Name(2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol
PubChem CID135000910
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol
SMILESC=C[C@H](C)C[C@@H](O)/C(C)=C/C
InChIInChI=1S/C10H18O/c1-5-8(3)7-10(11)9(4)6-2/h5-6,8,10-11H,1,7H2,2-4H3/b9-6+/t8-,10+/m0/s1
InChIKeyGTEBFRIDFXESLN-YSPXFBHJSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R,6R)-2,6-dimethyloct-7-en-4-ol
CID 92953759
3,8,9-trimethylundeca-1,9-diene
CID 123230555
2,6-dimethylocta-2,7-dien-4-ol
CID 15596211
(3S,5R)-3,5-dimethylhept-6-en-2-one
CID 131859012
(6E)-3,5-dimethylocta-1,6-diene
CID 5365812
3,5,8-trimethylnona-1,7-diene
CID 123488814
(4R,6S)-4,6-dimethyloct-7-en-2-one
CID 59788969
(3R)-3-amino-5-methylhept-6-en-2-one
CID 142093532
3-methyl-1-(methylamino)pent-3-en-2-ol
CID 90906216
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018
3,4,5,6-tetramethylocta-1,6-diene
CID 54426147
magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide
CID 22465804

Frequently Asked Questions

What is the IUPAC name of (2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol?
The IUPAC name of (2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol (CID 135000910) is (2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol.
What is the SMILES notation for (2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol?
The canonical SMILES for (2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol is C=C[C@H](C)C[C@@H](O)/C(C)=C/C.
What is the InChIKey of (2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol?
The InChIKey is GTEBFRIDFXESLN-YSPXFBHJSA-N. The full InChI is InChI=1S/C10H18O/c1-5-8(3)7-10(11)9(4)6-2/h5-6,8,10-11H,1,7H2,2-4H3/b9-6+/t8-,10+/m0/s1.
What are the key properties of (2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol?
(2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol has a molecular weight of 154.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol is sourced from PubChem (CID 135000910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).