1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane

C18H30 — CID 142173958

IUPAC1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
SMILESC/C=C\c1cc(C)c(/C=C\C)cc1C.CC.CC
InChIInChI=1S/C14H18.2C2H6/c1-5-7-13-9-12(4)14(8-6-2)10-11(13)3;2*1-2/h5-10H,1-4H3;2*1-2H3/b7-5-,8-6-;;
InChIKeyFWTPQRLUEICXSY-MNDGBQRHSA-N
MW246.44 g/mol
LogP6.42
Rot. Bonds2

About 1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane

1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane (PubChem CID 142173958) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane.

Molecular Properties

Compound Name1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
PubChem CID142173958
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
SMILESC/C=C\c1cc(C)c(/C=C\C)cc1C.CC.CC
InChIInChI=1S/C14H18.2C2H6/c1-5-7-13-9-12(4)14(8-6-2)10-11(13)3;2*1-2/h5-10H,1-4H3;2*1-2H3/b7-5-,8-6-;;
InChIKeyFWTPQRLUEICXSY-MNDGBQRHSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane?
The IUPAC name of 1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane (CID 142173958) is 1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane.
What is the SMILES notation for 1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane?
The canonical SMILES for 1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane is C/C=C\c1cc(C)c(/C=C\C)cc1C.CC.CC.
What is the InChIKey of 1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane?
The InChIKey is FWTPQRLUEICXSY-MNDGBQRHSA-N. The full InChI is InChI=1S/C14H18.2C2H6/c1-5-7-13-9-12(4)14(8-6-2)10-11(13)3;2*1-2/h5-10H,1-4H3;2*1-2H3/b7-5-,8-6-;;.
What are the key properties of 1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane?
1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane has a molecular weight of 246.44 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane is sourced from PubChem (CID 142173958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).