(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol

C9H16O — CID 88958553

IUPAC(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol
SMILESC/C=C\C(=C/CC)C(C)O
InChIInChI=1S/C9H16O/c1-4-6-9(7-5-2)8(3)10/h4,6-8,10H,5H2,1-3H3/b6-4-,9-7+
InChIKeyDLPYUCONTTUMDY-UNQQQNFISA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds3

About (E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol

(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol (PubChem CID 88958553) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol
PubChem CID88958553
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol
SMILESC/C=C\C(=C/CC)C(C)O
InChIInChI=1S/C9H16O/c1-4-6-9(7-5-2)8(3)10/h4,6-8,10H,5H2,1-3H3/b6-4-,9-7+
InChIKeyDLPYUCONTTUMDY-UNQQQNFISA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol?
The IUPAC name of (E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol (CID 88958553) is (E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol.
What is the SMILES notation for (E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol?
The canonical SMILES for (E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol is C/C=C\C(=C/CC)C(C)O.
What is the InChIKey of (E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol?
The InChIKey is DLPYUCONTTUMDY-UNQQQNFISA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-9(7-5-2)8(3)10/h4,6-8,10H,5H2,1-3H3/b6-4-,9-7+.
What are the key properties of (E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol?
(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol has a molecular weight of 140.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(Z)-prop-1-enyl]hex-3-en-2-ol is sourced from PubChem (CID 88958553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).