1-pentoxyprop-1-en-2-ol

C8H16O2 — CID 173004017

IUPAC1-pentoxyprop-1-en-2-ol
SMILESCCCCCOC=C(C)O
InChIInChI=1S/C8H16O2/c1-3-4-5-6-10-7-8(2)9/h7,9H,3-6H2,1-2H3
InChIKeyPKWKYDLWMPQVAO-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.61
Rot. Bonds5

About 1-pentoxyprop-1-en-2-ol

1-pentoxyprop-1-en-2-ol (PubChem CID 173004017) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-pentoxyprop-1-en-2-ol.

Molecular Properties

Compound Name1-pentoxyprop-1-en-2-ol
PubChem CID173004017
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-pentoxyprop-1-en-2-ol
SMILESCCCCCOC=C(C)O
InChIInChI=1S/C8H16O2/c1-3-4-5-6-10-7-8(2)9/h7,9H,3-6H2,1-2H3
InChIKeyPKWKYDLWMPQVAO-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propoxyprop-1-en-2-ol
CID 88536720
1-(2-methylprop-1-enoxy)heptane
CID 22234809
1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane
CID 150995067
1-(2-ethylhex-1-enoxy)decane
CID 166758323
2-(pentoxymethylidene)pent-4-enoic acid
CID 87688784
acetic acid;formic acid;hexadecyl formate
CID 173191278
2-pentoxyethenol
CID 173159715
3-(butoxymethylidene)pentane
CID 22234811
2-(butoxymethylidene)propanedioic acid
CID 149150850
acetic acid;pentylmercury
CID 88743685
1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene
CID 146277990
1-ethenoxytriacontane
CID 14647805

Frequently Asked Questions

What is the IUPAC name of 1-pentoxyprop-1-en-2-ol?
The IUPAC name of 1-pentoxyprop-1-en-2-ol (CID 173004017) is 1-pentoxyprop-1-en-2-ol.
What is the SMILES notation for 1-pentoxyprop-1-en-2-ol?
The canonical SMILES for 1-pentoxyprop-1-en-2-ol is CCCCCOC=C(C)O.
What is the InChIKey of 1-pentoxyprop-1-en-2-ol?
The InChIKey is PKWKYDLWMPQVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-5-6-10-7-8(2)9/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-pentoxyprop-1-en-2-ol?
1-pentoxyprop-1-en-2-ol has a molecular weight of 144.21 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxyprop-1-en-2-ol is sourced from PubChem (CID 173004017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).