2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene)

C16H34O3 — CID 18784995

IUPAC2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene)
SMILESC=CCCC.C=CCCC.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.2C5H10/c1-2-6(3-7,4-8)5-9;2*1-3-5-4-2/h7-9H,2-5H2,1H3;2*3H,1,4-5H2,2H3
InChIKeyKJWCYJRUDVTTGJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.30
Rot. Bonds8

About 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene)

2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene) (PubChem CID 18784995) has the molecular formula C16H34O3 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene).

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene)
PubChem CID18784995
Molecular FormulaC16H34O3
Molecular Weight274.45 g/mol
Exact Mass274.25
IUPAC Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene)
SMILESC=CCCC.C=CCCC.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.2C5H10/c1-2-6(3-7,4-8)5-9;2*1-3-5-4-2/h7-9H,2-5H2,1H3;2*3H,1,4-5H2,2H3
InChIKeyKJWCYJRUDVTTGJ-UHFFFAOYSA-N
XLogP3.30
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Propanediol, 2-allyl-2-methyl-
CID 213085
4,4-Bis(hydroxymethyl)-1,6-heptadiene
CID 13157912
2-Ethyl-2-methylpent-4-en-1-ol
CID 126972063
(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
CID 102143435
3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol
CID 135000707
2-(Hydroxymethyl)-2-prop-2-enylpropane-1,3-diol
CID 12930541
2-Methyl-2-prop-2-enylpent-4-en-1-ol
CID 15564145
2-Ethyl-2-prop-2-enylpent-4-en-1-ol
CID 19091569
2-(But-3-enyl)-2-hydroxymethylpropan-1,3-diol
CID 19373408
2,3-Dimethyl-2-hydroxymethyl-pent-4en-ol
CID 20349238
2-Methyl-2-(pent-4-enoxymethyl)propane-1,3-diol
CID 20447697
2,2,3-Trimethylpent-4-en-1-ol
CID 20450257

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene)?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene) (CID 18784995) is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene).
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene)?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene) is C=CCCC.C=CCCC.CCC(CO)(CO)CO.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene)?
The InChIKey is KJWCYJRUDVTTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.2C5H10/c1-2-6(3-7,4-8)5-9;2*1-3-5-4-2/h7-9H,2-5H2,1H3;2*3H,1,4-5H2,2H3.
What are the key properties of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene)?
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene) has a molecular weight of 274.45 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(pent-1-ene) is sourced from PubChem (CID 18784995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).