2,2,5-trimethylhepta-3,4-dien-1-ol

C10H18O — CID 12537902

IUPAC2,2,5-trimethylhepta-3,4-dien-1-ol
SMILESCCC(C)=C=CC(C)(C)CO
InChIInChI=1S/C10H18O/c1-5-9(2)6-7-10(3,4)8-11/h7,11H,5,8H2,1-4H3
InChIKeyGRKSKNCFYCGYAG-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.52
Rot. Bonds3

About 2,2,5-trimethylhepta-3,4-dien-1-ol

2,2,5-trimethylhepta-3,4-dien-1-ol (PubChem CID 12537902) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,2,5-trimethylhepta-3,4-dien-1-ol.

Molecular Properties

Compound Name2,2,5-trimethylhepta-3,4-dien-1-ol
PubChem CID12537902
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,2,5-trimethylhepta-3,4-dien-1-ol
SMILESCCC(C)=C=CC(C)(C)CO
InChIInChI=1S/C10H18O/c1-5-9(2)6-7-10(3,4)8-11/h7,11H,5,8H2,1-4H3
InChIKeyGRKSKNCFYCGYAG-UHFFFAOYSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylocta-3,4-dien-1-ol
CID 14977612
ethanol;3-hydroxy-2,2-dimethylpropanal
CID 175112473
3-ethyl-7-methylnona-2,5,6-triene
CID 123494363
(E)-2,2-dimethylhept-3-en-1-ol
CID 130125025
2,2-dimethylpropane-1,3-diol;propanoic acid;bis(prop-2-enoic acid)
CID 162215044
(E)-2,2,4-trimethylhex-3-ene
CID 5365974
2,2-dimethylpropane-1,1-diol;3-hydroxy-2,2-dimethylpropanal
CID 162717045
2,3,6-trimethylhepta-4,5-dien-3-ol
CID 12555430
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029
(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethylhepta-3,4-dien-1-ol?
The IUPAC name of 2,2,5-trimethylhepta-3,4-dien-1-ol (CID 12537902) is 2,2,5-trimethylhepta-3,4-dien-1-ol.
What is the SMILES notation for 2,2,5-trimethylhepta-3,4-dien-1-ol?
The canonical SMILES for 2,2,5-trimethylhepta-3,4-dien-1-ol is CCC(C)=C=CC(C)(C)CO.
What is the InChIKey of 2,2,5-trimethylhepta-3,4-dien-1-ol?
The InChIKey is GRKSKNCFYCGYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-9(2)6-7-10(3,4)8-11/h7,11H,5,8H2,1-4H3.
What are the key properties of 2,2,5-trimethylhepta-3,4-dien-1-ol?
2,2,5-trimethylhepta-3,4-dien-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethylhepta-3,4-dien-1-ol is sourced from PubChem (CID 12537902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).