2,3,6-trimethylhepta-4,5-dien-3-ol

C10H18O — CID 12555430

IUPAC2,3,6-trimethylhepta-4,5-dien-3-ol
SMILESCC(C)=C=CC(C)(O)C(C)C
InChIInChI=1S/C10H18O/c1-8(2)6-7-10(5,11)9(3)4/h7,9,11H,1-5H3
InChIKeyLPOXNYBKQIDBLT-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.51
Rot. Bonds2

About 2,3,6-trimethylhepta-4,5-dien-3-ol

2,3,6-trimethylhepta-4,5-dien-3-ol (PubChem CID 12555430) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,3,6-trimethylhepta-4,5-dien-3-ol.

Molecular Properties

Compound Name2,3,6-trimethylhepta-4,5-dien-3-ol
PubChem CID12555430
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,3,6-trimethylhepta-4,5-dien-3-ol
SMILESCC(C)=C=CC(C)(O)C(C)C
InChIInChI=1S/C10H18O/c1-8(2)6-7-10(5,11)9(3)4/h7,9,11H,1-5H3
InChIKeyLPOXNYBKQIDBLT-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol
CID 12555432
N,2,5-trimethyl-N-(3-methylbutyl)hexa-3,4-dien-2-amine
CID 123293577
2,5,6-trimethylocta-2,3-diene
CID 123715918
2,2,5-trimethylhexa-3,4-dienamide
CID 13070339
2,3-dimethyl(213C)butan-2-ol
CID 100985919
(3E)-5,5,8-trimethylnona-3,6,7-trien-2-one
CID 5363803
2,3-dimethylbutan-2-ol;titanium
CID 151633599
2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate
CID 157467331
(Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol
CID 101139199
[(E)-2,2,5-trimethylhexa-3,4-dienylideneamino] acetate
CID 177383942
(3E)-2,6,9,9-tetramethyldeca-3,6,7-trien-5-one
CID 122225162
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylhepta-4,5-dien-3-ol?
The IUPAC name of 2,3,6-trimethylhepta-4,5-dien-3-ol (CID 12555430) is 2,3,6-trimethylhepta-4,5-dien-3-ol.
What is the SMILES notation for 2,3,6-trimethylhepta-4,5-dien-3-ol?
The canonical SMILES for 2,3,6-trimethylhepta-4,5-dien-3-ol is CC(C)=C=CC(C)(O)C(C)C.
What is the InChIKey of 2,3,6-trimethylhepta-4,5-dien-3-ol?
The InChIKey is LPOXNYBKQIDBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)6-7-10(5,11)9(3)4/h7,9,11H,1-5H3.
What are the key properties of 2,3,6-trimethylhepta-4,5-dien-3-ol?
2,3,6-trimethylhepta-4,5-dien-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylhepta-4,5-dien-3-ol is sourced from PubChem (CID 12555430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).