1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen

C13H20 — CID 163256307

IUPAC1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen
SMILESC/C=C(\CC)c1cc(C)cc(C)c1.[H][H]
InChIInChI=1S/C13H18.H2/c1-5-12(6-2)13-8-10(3)7-11(4)9-13;/h5,7-9H,6H2,1-4H3;1H/b12-5+;
InChIKeyWSRJVJAACXVOKS-NKPNRJPBSA-N
MW176.30 g/mol
LogP4.36
Rot. Bonds2

About 1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen

1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen (PubChem CID 163256307) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen.

Molecular Properties

Compound Name1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen
PubChem CID163256307
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen
SMILESC/C=C(\CC)c1cc(C)cc(C)c1.[H][H]
InChIInChI=1S/C13H18.H2/c1-5-12(6-2)13-8-10(3)7-11(4)9-13;/h5,7-9H,6H2,1-4H3;1H/b12-5+;
InChIKeyWSRJVJAACXVOKS-NKPNRJPBSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen?
The IUPAC name of 1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen (CID 163256307) is 1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen.
What is the SMILES notation for 1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen?
The canonical SMILES for 1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen is C/C=C(\CC)c1cc(C)cc(C)c1.[H][H].
What is the InChIKey of 1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen?
The InChIKey is WSRJVJAACXVOKS-NKPNRJPBSA-N. The full InChI is InChI=1S/C13H18.H2/c1-5-12(6-2)13-8-10(3)7-11(4)9-13;/h5,7-9H,6H2,1-4H3;1H/b12-5+;.
What are the key properties of 1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen?
1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen has a molecular weight of 176.30 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(E)-pent-2-en-3-yl]benzene;molecular hydrogen is sourced from PubChem (CID 163256307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).