pent-1-ene-1,1-diol

C5H10O2 — CID 21473005

IUPACpent-1-ene-1,1-diol
SMILESCCCC=C(O)O
InChIInChI=1S/C5H10O2/c1-2-3-4-5(6)7/h4,6-7H,2-3H2,1H3
InChIKeyMLDWIYATQASALW-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.74
Rot. Bonds2

About pent-1-ene-1,1-diol

pent-1-ene-1,1-diol (PubChem CID 21473005) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is pent-1-ene-1,1-diol.

Molecular Properties

Compound Namepent-1-ene-1,1-diol
PubChem CID21473005
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Namepent-1-ene-1,1-diol
SMILESCCCC=C(O)O
InChIInChI=1S/C5H10O2/c1-2-3-4-5(6)7/h4,6-7H,2-3H2,1H3
InChIKeyMLDWIYATQASALW-UHFFFAOYSA-N
XLogP1.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

undec-1-ene-1,1-diol
CID 87556705
(Z)-1-fluoropent-1-en-1-ol
CID 173232591
1-iodopent-1-en-1-ol
CID 154405328
hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
CID 172808064
(3Z)-hepta-1,3-dien-3-ol
CID 102117961
(E)-1,1,1-trichlorohex-2-en-2-ol
CID 88736650
(E)-1-cyclohexylpent-1-en-1-ol
CID 142446276
(Z)-1-(azetidin-3-yl)pent-1-en-1-ol
CID 143701859
(E)-2-chlorohex-2-ene
CID 19796923
CID 175964810
CID 175964810
1-N,1-N'-di(propan-2-yl)pent-1-ene-1,1-diamine
CID 139931013
3-hydroxyhept-3-enoic acid
CID 173143432

Frequently Asked Questions

What is the IUPAC name of pent-1-ene-1,1-diol?
The IUPAC name of pent-1-ene-1,1-diol (CID 21473005) is pent-1-ene-1,1-diol.
What is the SMILES notation for pent-1-ene-1,1-diol?
The canonical SMILES for pent-1-ene-1,1-diol is CCCC=C(O)O.
What is the InChIKey of pent-1-ene-1,1-diol?
The InChIKey is MLDWIYATQASALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h4,6-7H,2-3H2,1H3.
What are the key properties of pent-1-ene-1,1-diol?
pent-1-ene-1,1-diol has a molecular weight of 102.13 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-ene-1,1-diol is sourced from PubChem (CID 21473005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).