1-prop-1-en-2-yloxybutan-1-ol

C7H14O2 — CID 141138090

IUPAC1-prop-1-en-2-yloxybutan-1-ol
SMILESC=C(C)OC(O)CCC
InChIInChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h7-8H,2,4-5H2,1,3H3
InChIKeyZMJBURSKFRMEGJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.66
Rot. Bonds4

About 1-prop-1-en-2-yloxybutan-1-ol

1-prop-1-en-2-yloxybutan-1-ol (PubChem CID 141138090) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-prop-1-en-2-yloxybutan-1-ol.

Molecular Properties

Compound Name1-prop-1-en-2-yloxybutan-1-ol
PubChem CID141138090
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1-prop-1-en-2-yloxybutan-1-ol
SMILESC=C(C)OC(O)CCC
InChIInChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h7-8H,2,4-5H2,1,3H3
InChIKeyZMJBURSKFRMEGJ-UHFFFAOYSA-N
XLogP1.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxybutyl 3-oxobutanoate
CID 19891073
1-hydroxybutoxymethanethioic S-acid
CID 156637313
(3S,4S)-3-hydroperoxy-2-methylhept-1-en-4-ol
CID 101416470
bis(1-hydroxybutyl) hexanedioate
CID 88811322
3-prop-1-en-2-yloxyheptane
CID 121486532
ethane;bis(1-methoxybutan-1-ol)
CID 144737274
3-methoxy-2-methylhex-1-ene
CID 123417422
3-hydroperoxy-2-methylhex-1-ene
CID 12949710
1-hydroxybutyl 3-oxobutanoate;prop-2-enoic acid
CID 158860628
1-hydroxybutyl 3-hydroxybutanoate
CID 22612981
butan-2-ol;2-prop-1-en-2-yloxybutane
CID 159582124
1-hydroxybutyl prop-2-enoate;prop-2-en-1-ol
CID 88525550

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yloxybutan-1-ol?
The IUPAC name of 1-prop-1-en-2-yloxybutan-1-ol (CID 141138090) is 1-prop-1-en-2-yloxybutan-1-ol.
What is the SMILES notation for 1-prop-1-en-2-yloxybutan-1-ol?
The canonical SMILES for 1-prop-1-en-2-yloxybutan-1-ol is C=C(C)OC(O)CCC.
What is the InChIKey of 1-prop-1-en-2-yloxybutan-1-ol?
The InChIKey is ZMJBURSKFRMEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h7-8H,2,4-5H2,1,3H3.
What are the key properties of 1-prop-1-en-2-yloxybutan-1-ol?
1-prop-1-en-2-yloxybutan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yloxybutan-1-ol is sourced from PubChem (CID 141138090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).