6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol

C11H16O2 — CID 10375034

IUPAC6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol
SMILESC=C/C=C/COCC#CCCCO
InChIInChI=1S/C11H16O2/c1-2-3-7-10-13-11-8-5-4-6-9-12/h2-3,7,12H,1,4,6,9-11H2/b7-3+
InChIKeyCBPHDJNESJIUNZ-XVNBXDOJSA-N
MW180.25 g/mol
LogP1.52
Rot. Bonds6

About 6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol

6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol (PubChem CID 10375034) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol.

Molecular Properties

Compound Name6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol
PubChem CID10375034
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol
SMILESC=C/C=C/COCC#CCCCO
InChIInChI=1S/C11H16O2/c1-2-3-7-10-13-11-8-5-4-6-9-12/h2-3,7,12H,1,4,6,9-11H2/b7-3+
InChIKeyCBPHDJNESJIUNZ-XVNBXDOJSA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-penta-2,4-dienoxyethanol
CID 141172207
(Z)-4-dec-2-ynoxybut-2-en-1-ol
CID 11345122
(E)-4-dec-2-ynoxybut-2-en-1-ol
CID 11218372
1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne
CID 11252648
deca-7,9-dien-1-ol
CID 54432323
heptadeca-14,16-dien-1-ol
CID 163204876
pentadeca-12,14-dien-1-ol
CID 163204807
(14E)-heptadeca-14,16-dien-1-ol
CID 163204911
5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol
CID 11073811
nona-2,5-diyne-1,9-diol
CID 175119403
(Z)-4-[6-[(Z)-4-hydroxybut-2-enoxy]hexa-2,4-diynoxy]but-2-en-1-ol
CID 101162330
(2E,4E)-1-pent-2-ynoxyhexa-2,4-diene
CID 10583159

Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol?
The IUPAC name of 6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol (CID 10375034) is 6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol.
What is the SMILES notation for 6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol?
The canonical SMILES for 6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol is C=C/C=C/COCC#CCCCO.
What is the InChIKey of 6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol?
The InChIKey is CBPHDJNESJIUNZ-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-7-10-13-11-8-5-4-6-9-12/h2-3,7,12H,1,4,6,9-11H2/b7-3+.
What are the key properties of 6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol?
6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol is sourced from PubChem (CID 10375034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).