4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol

C11H20O3 — CID 169012978

IUPAC4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol
SMILESC=CC(O)C(C=C)C(C)(C)OC(C)O
InChIInChI=1S/C11H20O3/c1-6-9(10(13)7-2)11(4,5)14-8(3)12/h6-10,12-13H,1-2H2,3-5H3
InChIKeyIPEFHETWYHAWPS-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.47
Rot. Bonds6

About 4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol

4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol (PubChem CID 169012978) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol
PubChem CID169012978
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol
SMILESC=CC(O)C(C=C)C(C)(C)OC(C)O
InChIInChI=1S/C11H20O3/c1-6-9(10(13)7-2)11(4,5)14-8(3)12/h6-10,12-13H,1-2H2,3-5H3
InChIKeyIPEFHETWYHAWPS-UHFFFAOYSA-N
XLogP1.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol
CID 123974512
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
azane;4-methylpent-1-en-3-ol
CID 175575018
4-ethenylhexa-1,5-dien-3-ol
CID 15402805
2-(1-hydroxyprop-2-enoxy)propan-2-ol
CID 174666718
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
2-but-3-en-2-yloxy-2-hydroxypropanoic acid
CID 175010207
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate
CID 14541317
(3S,4R)-2,2,4-trimethylhex-5-en-3-ol
CID 11182665
4,8-dimethyl-8-pentoxynon-1-en-3-ol
CID 134207773
methyl 3-hydroxy-2-methylpent-4-enoate
CID 15936058

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol?
The IUPAC name of 4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol (CID 169012978) is 4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol.
What is the SMILES notation for 4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol?
The canonical SMILES for 4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol is C=CC(O)C(C=C)C(C)(C)OC(C)O.
What is the InChIKey of 4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol?
The InChIKey is IPEFHETWYHAWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-6-9(10(13)7-2)11(4,5)14-8(3)12/h6-10,12-13H,1-2H2,3-5H3.
What are the key properties of 4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol?
4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol has a molecular weight of 200.28 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol is sourced from PubChem (CID 169012978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).