ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene

C17H24 — CID 144915066

IUPACethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
SMILESC=C/C=C\C(=C)C(C)(C)c1ccccc1.CC
InChIInChI=1S/C15H18.C2H6/c1-5-6-10-13(2)15(3,4)14-11-8-7-9-12-14;1-2/h5-12H,1-2H2,3-4H3;1-2H3/b10-6-;
InChIKeyCSTSJFOVNLSVFY-OTUCAILMSA-N
MW228.38 g/mol
LogP5.29
Rot. Bonds4

About ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene

ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene (PubChem CID 144915066) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene.

Molecular Properties

Compound Nameethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
PubChem CID144915066
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
SMILESC=C/C=C\C(=C)C(C)(C)c1ccccc1.CC
InChIInChI=1S/C15H18.C2H6/c1-5-6-10-13(2)15(3,4)14-11-8-7-9-12-14;1-2/h5-12H,1-2H2,3-4H3;1-2H3/b10-6-;
InChIKeyCSTSJFOVNLSVFY-OTUCAILMSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene?
The IUPAC name of ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene (CID 144915066) is ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene.
What is the SMILES notation for ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene?
The canonical SMILES for ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene is C=C/C=C\C(=C)C(C)(C)c1ccccc1.CC.
What is the InChIKey of ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene?
The InChIKey is CSTSJFOVNLSVFY-OTUCAILMSA-N. The full InChI is InChI=1S/C15H18.C2H6/c1-5-6-10-13(2)15(3,4)14-11-8-7-9-12-14;1-2/h5-12H,1-2H2,3-4H3;1-2H3/b10-6-;.
What are the key properties of ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene?
ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene has a molecular weight of 228.38 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene is sourced from PubChem (CID 144915066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).