(2Z,5E)-4-methylhepta-2,5-dien-2-ol

C8H14O — CID 158634176

IUPAC(2Z,5E)-4-methylhepta-2,5-dien-2-ol
SMILESC/C=C/C(C)/C=C(/C)O
InChIInChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h4-7,9H,1-3H3/b5-4+,8-6-
InChIKeyPUYAKHAGDFYEMK-LMJRQTCTSA-N
MW126.20 g/mol
LogP2.66
Rot. Bonds2

About (2Z,5E)-4-methylhepta-2,5-dien-2-ol

(2Z,5E)-4-methylhepta-2,5-dien-2-ol (PubChem CID 158634176) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2Z,5E)-4-methylhepta-2,5-dien-2-ol.

Molecular Properties

Compound Name(2Z,5E)-4-methylhepta-2,5-dien-2-ol
PubChem CID158634176
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2Z,5E)-4-methylhepta-2,5-dien-2-ol
SMILESC/C=C/C(C)/C=C(/C)O
InChIInChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h4-7,9H,1-3H3/b5-4+,8-6-
InChIKeyPUYAKHAGDFYEMK-LMJRQTCTSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(3S,4E)-3-methylhexa-1,4-diene
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methane;1-methyl-2-[(2Z,5Z)-4-methylhepta-2,5-dien-2-yl]cyclohexene
CID 142802969
(Z)-4-aminopent-2-en-2-ol;ethane
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4-methylpent-2-ene
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(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene
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(E)-3-methyl-2-oxohex-4-enamide
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(Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide
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3-methylhepta-2,5-dien-4-ol
CID 130124822
(Z,2S)-2-methylpent-3-en-1-ol
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3,6-dimethylocta-1,4,6-triene
CID 90763944

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-4-methylhepta-2,5-dien-2-ol?
The IUPAC name of (2Z,5E)-4-methylhepta-2,5-dien-2-ol (CID 158634176) is (2Z,5E)-4-methylhepta-2,5-dien-2-ol.
What is the SMILES notation for (2Z,5E)-4-methylhepta-2,5-dien-2-ol?
The canonical SMILES for (2Z,5E)-4-methylhepta-2,5-dien-2-ol is C/C=C/C(C)/C=C(/C)O.
What is the InChIKey of (2Z,5E)-4-methylhepta-2,5-dien-2-ol?
The InChIKey is PUYAKHAGDFYEMK-LMJRQTCTSA-N. The full InChI is InChI=1S/C8H14O/c1-4-5-7(2)6-8(3)9/h4-7,9H,1-3H3/b5-4+,8-6-.
What are the key properties of (2Z,5E)-4-methylhepta-2,5-dien-2-ol?
(2Z,5E)-4-methylhepta-2,5-dien-2-ol has a molecular weight of 126.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-4-methylhepta-2,5-dien-2-ol is sourced from PubChem (CID 158634176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).