(Z)-2,5-dimethylhex-3-en-3-ol

C8H16O — CID 59212039

IUPAC(Z)-2,5-dimethylhex-3-en-3-ol
SMILESCC(C)/C=C(\O)C(C)C
InChIInChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h5-7,9H,1-4H3/b8-5-
InChIKeyNTJFZUYBPIRSIG-YVMONPNESA-N
MW128.21 g/mol
LogP2.74
Rot. Bonds2

About (Z)-2,5-dimethylhex-3-en-3-ol

(Z)-2,5-dimethylhex-3-en-3-ol (PubChem CID 59212039) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (Z)-2,5-dimethylhex-3-en-3-ol.

Molecular Properties

Compound Name(Z)-2,5-dimethylhex-3-en-3-ol
PubChem CID59212039
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(Z)-2,5-dimethylhex-3-en-3-ol
SMILESCC(C)/C=C(\O)C(C)C
InChIInChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h5-7,9H,1-4H3/b8-5-
InChIKeyNTJFZUYBPIRSIG-YVMONPNESA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,5-dimethylhex-3-en-3-ol?
The IUPAC name of (Z)-2,5-dimethylhex-3-en-3-ol (CID 59212039) is (Z)-2,5-dimethylhex-3-en-3-ol.
What is the SMILES notation for (Z)-2,5-dimethylhex-3-en-3-ol?
The canonical SMILES for (Z)-2,5-dimethylhex-3-en-3-ol is CC(C)/C=C(\O)C(C)C.
What is the InChIKey of (Z)-2,5-dimethylhex-3-en-3-ol?
The InChIKey is NTJFZUYBPIRSIG-YVMONPNESA-N. The full InChI is InChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h5-7,9H,1-4H3/b8-5-.
What are the key properties of (Z)-2,5-dimethylhex-3-en-3-ol?
(Z)-2,5-dimethylhex-3-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5-dimethylhex-3-en-3-ol is sourced from PubChem (CID 59212039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).