ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene

C18H26 — CID 142289404

IUPACethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene
SMILESCC.CC=C=C(CC)c1ccc(C)c(/C=C\C)c1
InChIInChI=1S/C16H20.C2H6/c1-5-8-14(7-3)16-11-10-13(4)15(12-16)9-6-2;1-2/h5-6,9-12H,7H2,1-4H3;1-2H3/b9-6-;
InChIKeyASOCPWWMTJHHNQ-BORNJIKYSA-N
MW242.41 g/mol
LogP6.02
Rot. Bonds3

About ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene

ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene (PubChem CID 142289404) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Nameethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene
PubChem CID142289404
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Nameethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene
SMILESCC.CC=C=C(CC)c1ccc(C)c(/C=C\C)c1
InChIInChI=1S/C16H20.C2H6/c1-5-8-14(7-3)16-11-10-13(4)15(12-16)9-6-2;1-2/h5-6,9-12H,7H2,1-4H3;1-2H3/b9-6-;
InChIKeyASOCPWWMTJHHNQ-BORNJIKYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene (CID 142289404) is ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene is CC.CC=C=C(CC)c1ccc(C)c(/C=C\C)c1.
What is the InChIKey of ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is ASOCPWWMTJHHNQ-BORNJIKYSA-N. The full InChI is InChI=1S/C16H20.C2H6/c1-5-8-14(7-3)16-11-10-13(4)15(12-16)9-6-2;1-2/h5-6,9-12H,7H2,1-4H3;1-2H3/b9-6-;.
What are the key properties of ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene?
ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 242.41 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hexa-3,4-dien-3-yl-1-methyl-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 142289404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).