1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol

C11H22O3 — CID 138664594

IUPAC1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol
SMILESC=CCOC(C)CC(O)COC(C)C
InChIInChI=1S/C11H22O3/c1-5-6-13-10(4)7-11(12)8-14-9(2)3/h5,9-12H,1,6-8H2,2-4H3
InChIKeyHZIPWYQLOSHMAK-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.75
Rot. Bonds8

About 1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol

1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol (PubChem CID 138664594) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol
PubChem CID138664594
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol
SMILESC=CCOC(C)CC(O)COC(C)C
InChIInChI=1S/C11H22O3/c1-5-6-13-10(4)7-11(12)8-14-9(2)3/h5,9-12H,1,6-8H2,2-4H3
InChIKeyHZIPWYQLOSHMAK-UHFFFAOYSA-N
XLogP1.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578
1-propan-2-yloxyhept-6-en-2-ol
CID 105102103
3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium
CID 161486686
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
4-methyl-5-propan-2-yloxypent-1-ene
CID 144799299
(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
CID 158358225
(2S)-2-prop-2-enoxypropan-1-amine
CID 55273879
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
diethyl 2-(2-hydroxy-3-propan-2-yloxypropyl)propanedioate
CID 112696152
prop-2-enyl 2-hydroxy-4-methylpentanoate
CID 18724155
3-prop-2-enoxybutanal
CID 12509754
6-methyl-1-propan-2-yloxyheptan-2-ol
CID 105122821

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol?
The IUPAC name of 1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol (CID 138664594) is 1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol is C=CCOC(C)CC(O)COC(C)C.
What is the InChIKey of 1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol?
The InChIKey is HZIPWYQLOSHMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-6-13-10(4)7-11(12)8-14-9(2)3/h5,9-12H,1,6-8H2,2-4H3.
What are the key properties of 1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol?
1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol has a molecular weight of 202.29 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol is sourced from PubChem (CID 138664594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).