(Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene

C21H50O — CID 143333255

IUPAC(Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene
SMILESC/C=C\C.C=C.C=CC.C=CC(C)O.CC.CC.CC.CC
InChIInChI=1S/C4H8O.C4H8.C3H6.4C2H6.C2H4/c1-3-4(2)5;1-3-4-2;1-3-2;5*1-2/h3-5H,1H2,2H3;3-4H,1-2H3;3H,1H2,2H3;4*1-2H3;1-2H2/b;4-3-;;;;;;
InChIKeyJUMWXJOLDPFLCB-BMGGQBFZSA-N
MW318.63 g/mol
LogP8.23
Rot. Bonds1

About (Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene

(Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene (PubChem CID 143333255) has the molecular formula C21H50O and a molecular weight of 318.63 g/mol. Its IUPAC name is (Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene.

Molecular Properties

Compound Name(Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene
PubChem CID143333255
Molecular FormulaC21H50O
Molecular Weight318.63 g/mol
Exact Mass318.39
IUPAC Name(Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene
SMILESC/C=C\C.C=C.C=CC.C=CC(C)O.CC.CC.CC.CC
InChIInChI=1S/C4H8O.C4H8.C3H6.4C2H6.C2H4/c1-3-4(2)5;1-3-4-2;1-3-2;5*1-2/h3-5H,1H2,2H3;3-4H,1-2H3;3H,1H2,2H3;4*1-2H3;1-2H2/b;4-3-;;;;;;
InChIKeyJUMWXJOLDPFLCB-BMGGQBFZSA-N
XLogP8.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.63
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Buten-2-ol
CID 11716
(2R)-but-3-en-2-ol
CID 6995534
(2S)-but-3-en-2-ol
CID 6999790
(1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol
CID 10764319
4-(Tributylstannyl)but-3-en-2-ol
CID 9947010
1,6,10,14,18,22-Tetracosahexaen-3-ol
CID 168434007
3-Buten-2-ol, 3-(tributylstannyl)-
CID 10338605
(r)-(e)-4-(Tributylstannyl)but-3-en-2-ol
CID 11279891
(E,2S)-4-tributylstannylbut-3-en-2-ol
CID 11405746
1-(Trimethylgermyl)-3-buten-2-ol
CID 129803972
(E)-6-tributylstannylhex-4-en-3-ol
CID 134904944
(Z)-4-butyltellanylbut-3-en-2-ol
CID 12176967

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene?
The IUPAC name of (Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene (CID 143333255) is (Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene.
What is the SMILES notation for (Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene?
The canonical SMILES for (Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene is C/C=C\C.C=C.C=CC.C=CC(C)O.CC.CC.CC.CC.
What is the InChIKey of (Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene?
The InChIKey is JUMWXJOLDPFLCB-BMGGQBFZSA-N. The full InChI is InChI=1S/C4H8O.C4H8.C3H6.4C2H6.C2H4/c1-3-4(2)5;1-3-4-2;1-3-2;5*1-2/h3-5H,1H2,2H3;3-4H,1-2H3;3H,1H2,2H3;4*1-2H3;1-2H2/b;4-3-;;;;;;.
What are the key properties of (Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene?
(Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene has a molecular weight of 318.63 g/mol, XLogP of 8.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene is sourced from PubChem (CID 143333255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).