4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol

C11H16O2 — CID 11715288

IUPAC4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol
SMILESC#CCOCC(O)(CC=C)CC=C
InChIInChI=1S/C11H16O2/c1-4-7-11(12,8-5-2)10-13-9-6-3/h3-5,12H,1-2,7-10H2
InChIKeyAFLUJRQMVISRQB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.52
Rot. Bonds7

About 4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol

4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol (PubChem CID 11715288) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol
PubChem CID11715288
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol
SMILESC#CCOCC(O)(CC=C)CC=C
InChIInChI=1S/C11H16O2/c1-4-7-11(12,8-5-2)10-13-9-6-3/h3-5,12H,1-2,7-10H2
InChIKeyAFLUJRQMVISRQB-UHFFFAOYSA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diallyl diethylene glycol
CID 22034395
Diallyltriethylene glycol
CID 87841834
4-[Difluoro(3-fluoropropoxy)methyl]hepta-1,6-dien-4-ol
CID 118403353
4-[(1R)-1-prop-2-ynoxyethyl]hepta-1,6-dien-4-ol
CID 135023338
4-[(3-Methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol
CID 162404747
2-Prop-2-enoxy-2-prop-2-enylpent-4-en-1-ol
CID 10631292
3-(Methoxymethyl)hex-5-en-3-ol
CID 79733495
2-Butoxy-2-prop-2-enylpent-4-en-1-ol
CID 174403172
2-Methoxy-2-prop-2-enylpent-4-en-1-ol
CID 174471993
4-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxymethyl]hepta-1,6-dien-4-ol
CID 176197497
4-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]hepta-1,6-dien-4-ol
CID 176197535
4-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]hepta-1,6-dien-4-ol
CID 176197569

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol (CID 11715288) is 4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol is C#CCOCC(O)(CC=C)CC=C.
What is the InChIKey of 4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol?
The InChIKey is AFLUJRQMVISRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-7-11(12,8-5-2)10-13-9-6-3/h3-5,12H,1-2,7-10H2.
What are the key properties of 4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol?
4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol has a molecular weight of 180.25 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-ynoxymethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 11715288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).