4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol

C10H18O3 — CID 22034395

IUPAC4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)COCCO
InChIInChI=1S/C10H18O3/c1-3-5-10(12,6-4-2)9-13-8-7-11/h3-4,11-12H,1-2,5-9H2
InChIKeyQEICRFBQTUHNIP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.88
Rot. Bonds8

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

4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol (PubChem CID 22034395) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol
PubChem CID22034395
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)COCCO
InChIInChI=1S/C10H18O3/c1-3-5-10(12,6-4-2)9-13-8-7-11/h3-4,11-12H,1-2,5-9H2
InChIKeyQEICRFBQTUHNIP-UHFFFAOYSA-N
XLogP0.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol
CID 174830450
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
2-prop-2-enylpent-4-ene-1,2-diol
CID 13218060
3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol
CID 86746415
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
CID 159345993
CID 159345993
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
2-(2-ethenoxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159459473

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol (CID 22034395) is 4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)COCCO.
What is the InChIKey of 4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol?
The InChIKey is QEICRFBQTUHNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-10(12,6-4-2)9-13-8-7-11/h3-4,11-12H,1-2,5-9H2.
What are the key properties of 4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol?
4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol has a molecular weight of 186.25 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 22034395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).