ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene

C16H30 — CID 145388668

IUPACethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccccc1C.CC.CC.CC
InChIInChI=1S/C10H12.3C2H6/c1-3-6-10-8-5-4-7-9(10)2;3*1-2/h3-8H,1-2H3;3*1-2H3/b6-3-;;;
InChIKeyGXOGVGZZFURDSV-LNCDPFLUSA-N
MW222.42 g/mol
LogP6.11
Rot. Bonds1

About ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene

ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene (PubChem CID 145388668) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
PubChem CID145388668
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Nameethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccccc1C.CC.CC.CC
InChIInChI=1S/C10H12.3C2H6/c1-3-6-10-8-5-4-7-9(10)2;3*1-2/h3-8H,1-2H3;3*1-2H3/b6-3-;;;
InChIKeyGXOGVGZZFURDSV-LNCDPFLUSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene (CID 145388668) is ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene is C/C=C\c1ccccc1C.CC.CC.CC.
What is the InChIKey of ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is GXOGVGZZFURDSV-LNCDPFLUSA-N. The full InChI is InChI=1S/C10H12.3C2H6/c1-3-6-10-8-5-4-7-9(10)2;3*1-2/h3-8H,1-2H3;3*1-2H3/b6-3-;;;.
What are the key properties of ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene?
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 222.42 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 145388668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).