1-pent-1-en-2-yloxypropan-1-ol

C8H16O2 — CID 141336115

IUPAC1-pent-1-en-2-yloxypropan-1-ol
SMILESC=C(CCC)OC(O)CC
InChIInChI=1S/C8H16O2/c1-4-6-7(3)10-8(9)5-2/h8-9H,3-6H2,1-2H3
InChIKeyFSUCHSLAFOPWAF-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.05
Rot. Bonds5

About 1-pent-1-en-2-yloxypropan-1-ol

1-pent-1-en-2-yloxypropan-1-ol (PubChem CID 141336115) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-pent-1-en-2-yloxypropan-1-ol.

Molecular Properties

Compound Name1-pent-1-en-2-yloxypropan-1-ol
PubChem CID141336115
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-pent-1-en-2-yloxypropan-1-ol
SMILESC=C(CCC)OC(O)CC
InChIInChI=1S/C8H16O2/c1-4-6-7(3)10-8(9)5-2/h8-9H,3-6H2,1-2H3
InChIKeyFSUCHSLAFOPWAF-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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-hydroxypropyl pentanoate
CID 141059599
3-pent-1-en-2-yloxypropane-1,2-diol
CID 87089728
1-hydroxypropyl acetate
CID 21275092
1-hydroxypropyl hexadecanoate
CID 20514368
1-hydroxypropyl tetradecanoate
CID 20514336
1-hydroxypropyl icosanoate
CID 155673375
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
bis(1-hydroxypropyl) (E)-but-2-enedioate
CID 87089328
1-prop-1-en-2-yloxybutan-1-ol
CID 141138090
butan-2-ol;pentane
CID 87560104
1-propan-2-ylperoxypropan-1-ol
CID 175558686
(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
CID 88904720

Frequently Asked Questions

What is the IUPAC name of 1-pent-1-en-2-yloxypropan-1-ol?
The IUPAC name of 1-pent-1-en-2-yloxypropan-1-ol (CID 141336115) is 1-pent-1-en-2-yloxypropan-1-ol.
What is the SMILES notation for 1-pent-1-en-2-yloxypropan-1-ol?
The canonical SMILES for 1-pent-1-en-2-yloxypropan-1-ol is C=C(CCC)OC(O)CC.
What is the InChIKey of 1-pent-1-en-2-yloxypropan-1-ol?
The InChIKey is FSUCHSLAFOPWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-6-7(3)10-8(9)5-2/h8-9H,3-6H2,1-2H3.
What are the key properties of 1-pent-1-en-2-yloxypropan-1-ol?
1-pent-1-en-2-yloxypropan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-en-2-yloxypropan-1-ol is sourced from PubChem (CID 141336115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).