(2Z,4E)-6-methylhepta-2,4-dien-4-ol

C8H14O — CID 88856291

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

About (2Z,4E)-6-methylhepta-2,4-dien-4-ol

(2Z,4E)-6-methylhepta-2,4-dien-4-ol (PubChem CID 88856291) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2Z,4E)-6-methylhepta-2,4-dien-4-ol.

Molecular Properties

Compound Name(2Z,4E)-6-methylhepta-2,4-dien-4-ol
PubChem CID88856291
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2Z,4E)-6-methylhepta-2,4-dien-4-ol
SMILESC/C=C\C(O)=C/C(C)C
InChIInChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h4-7,9H,1-3H3/b5-4-,8-6+
InChIKeyGGJACIVDDYMEBM-GSGSLZOQSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-methyl(2,3-11C2)but-1-ene-1,1-diol
CID 89150203
(2Z)-N-hydroxysulfanyl-6-methylhepta-2,4-dien-4-amine
CID 123819308
1-chloro-3-methylbut-1-en-1-ol
CID 141026738
(Z)-2,5-dimethylhex-3-en-3-ol
CID 59212039
(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol
CID 143682411
1-aminoethanol;(E)-but-2-enoic acid
CID 87299473
7-methyl-4-methylideneocta-2,5-diene
CID 123740192
4-methylhepta-3,5-dien-2-amine
CID 123570929
(3E,5Z)-4-chlorohepta-3,5-dien-2-amine
CID 134365778
1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene
CID 143551203
(E)-but-2-enoic acid
CID 637090
(2Z,5E)-4-methylhepta-2,5-dien-2-ol
CID 158634176

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6-methylhepta-2,4-dien-4-ol?
The IUPAC name of (2Z,4E)-6-methylhepta-2,4-dien-4-ol (CID 88856291) is (2Z,4E)-6-methylhepta-2,4-dien-4-ol.
What is the SMILES notation for (2Z,4E)-6-methylhepta-2,4-dien-4-ol?
The canonical SMILES for (2Z,4E)-6-methylhepta-2,4-dien-4-ol is C/C=C\C(O)=C/C(C)C.
What is the InChIKey of (2Z,4E)-6-methylhepta-2,4-dien-4-ol?
The InChIKey is GGJACIVDDYMEBM-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h4-7,9H,1-3H3/b5-4-,8-6+.
What are the key properties of (2Z,4E)-6-methylhepta-2,4-dien-4-ol?
(2Z,4E)-6-methylhepta-2,4-dien-4-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,4E)-6-methylhepta-2,4-dien-4-ol is sourced from PubChem (CID 88856291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).