3-prop-2-enoxypentan-2-ol

C8H16O2 — CID 88507148

IUPAC3-prop-2-enoxypentan-2-ol
SMILESC=CCOC(CC)C(C)O
InChIInChI=1S/C8H16O2/c1-4-6-10-8(5-2)7(3)9/h4,7-9H,1,5-6H2,2-3H3
InChIKeyJJPQDVVSGMVJRZ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds5

About 3-prop-2-enoxypentan-2-ol

3-prop-2-enoxypentan-2-ol (PubChem CID 88507148) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-prop-2-enoxypentan-2-ol.

Molecular Properties

Compound Name3-prop-2-enoxypentan-2-ol
PubChem CID88507148
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-prop-2-enoxypentan-2-ol
SMILESC=CCOC(CC)C(C)O
InChIInChI=1S/C8H16O2/c1-4-6-10-8(5-2)7(3)9/h4,7-9H,1,5-6H2,2-3H3
InChIKeyJJPQDVVSGMVJRZ-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Glyceryl Allyl Ether
CID 78950
Propylene glycol, allyl ether
CID 14903
2-Propanol, 1,3-bis(2-propen-1-yloxy)-
CID 86908
2(or 3)-(2-Propen-1-yloxy)-1,?-propanediol
CID 91289
2-Propanol, 1-(1-methyl-2-(2-propenyloxy)ethoxy)-
CID 41674
2-Propanol, 1-allyloxy-3-isopropoxy-
CID 112464
1-Methoxy-3-(2-propen-1-yloxy)-2-propanol
CID 119795
2-Propanol, 1-(2-propenyloxy)-
CID 542178
1-Butoxy-3-[(prop-2-en-1-yl)oxy]propan-2-ol
CID 13805865
1-Propanol, 2,3-bis(2-propenyloxy)-
CID 110921
1-[1-Methyl-2-[1-methyl-2-(2-propen-1-yloxy)ethoxy]ethoxy]-2-propanol
CID 22253225
1-Prop-2-enoxybutan-2-ol
CID 14833240

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxypentan-2-ol?
The IUPAC name of 3-prop-2-enoxypentan-2-ol (CID 88507148) is 3-prop-2-enoxypentan-2-ol.
What is the SMILES notation for 3-prop-2-enoxypentan-2-ol?
The canonical SMILES for 3-prop-2-enoxypentan-2-ol is C=CCOC(CC)C(C)O.
What is the InChIKey of 3-prop-2-enoxypentan-2-ol?
The InChIKey is JJPQDVVSGMVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-6-10-8(5-2)7(3)9/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 3-prop-2-enoxypentan-2-ol?
3-prop-2-enoxypentan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypentan-2-ol is sourced from PubChem (CID 88507148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).