[3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane

C20H32O — CID 163301264

IUPAC[3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane
SMILESC=CC1=C(/C=C\C)C(CO)C(/C=C\C)=C1C=C.CC.CC
InChIInChI=1S/C16H20O.2C2H6/c1-5-9-14-12(7-3)13(8-4)15(10-6-2)16(14)11-17;2*1-2/h5-10,16-17H,3-4,11H2,1-2H3;2*1-2H3/b9-5-,10-6-;;
InChIKeyCPUWRXBCZFBZTA-DOEZIXEDSA-N
MW288.48 g/mol
LogP5.78
Rot. Bonds5

About [3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane

[3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane (PubChem CID 163301264) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is [3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane.

Molecular Properties

Compound Name[3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane
PubChem CID163301264
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name[3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane
SMILESC=CC1=C(/C=C\C)C(CO)C(/C=C\C)=C1C=C.CC.CC
InChIInChI=1S/C16H20O.2C2H6/c1-5-9-14-12(7-3)13(8-4)15(10-6-2)16(14)11-17;2*1-2/h5-10,16-17H,3-4,11H2,1-2H3;2*1-2H3/b9-5-,10-6-;;
InChIKeyCPUWRXBCZFBZTA-DOEZIXEDSA-N
XLogP5.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane?
The IUPAC name of [3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane (CID 163301264) is [3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane.
What is the SMILES notation for [3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane?
The canonical SMILES for [3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane is C=CC1=C(/C=C\C)C(CO)C(/C=C\C)=C1C=C.CC.CC.
What is the InChIKey of [3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane?
The InChIKey is CPUWRXBCZFBZTA-DOEZIXEDSA-N. The full InChI is InChI=1S/C16H20O.2C2H6/c1-5-9-14-12(7-3)13(8-4)15(10-6-2)16(14)11-17;2*1-2/h5-10,16-17H,3-4,11H2,1-2H3;2*1-2H3/b9-5-,10-6-;;.
What are the key properties of [3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane?
[3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane has a molecular weight of 288.48 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane is sourced from PubChem (CID 163301264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).