(E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol

C10H18O2 — CID 88575633

IUPAC(E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol
SMILESC/C=C\C(=C/C(C)CCO)CO
InChIInChI=1S/C10H18O2/c1-3-4-10(8-12)7-9(2)5-6-11/h3-4,7,9,11-12H,5-6,8H2,1-2H3/b4-3-,10-7+
InChIKeyTVMUGZRKYKCNQQ-HQGAUJLMSA-N
MW170.25 g/mol
LogP1.50
Rot. Bonds5

About (E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol

(E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol (PubChem CID 88575633) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol.

Molecular Properties

Compound Name(E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol
PubChem CID88575633
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol
SMILESC/C=C\C(=C/C(C)CCO)CO
InChIInChI=1S/C10H18O2/c1-3-4-10(8-12)7-9(2)5-6-11/h3-4,7,9,11-12H,5-6,8H2,1-2H3/b4-3-,10-7+
InChIKeyTVMUGZRKYKCNQQ-HQGAUJLMSA-N
XLogP1.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol?
The IUPAC name of (E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol (CID 88575633) is (E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol.
What is the SMILES notation for (E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol?
The canonical SMILES for (E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol is C/C=C\C(=C/C(C)CCO)CO.
What is the InChIKey of (E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol?
The InChIKey is TVMUGZRKYKCNQQ-HQGAUJLMSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-10(8-12)7-9(2)5-6-11/h3-4,7,9,11-12H,5-6,8H2,1-2H3/b4-3-,10-7+.
What are the key properties of (E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol?
(E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol has a molecular weight of 170.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol is sourced from PubChem (CID 88575633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).