ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene

C15H24 — CID 145089984

IUPACethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccc(C(C)C)cc1C.CC
InChIInChI=1S/C13H18.C2H6/c1-5-6-12-7-8-13(10(2)3)9-11(12)4;1-2/h5-10H,1-4H3;1-2H3/b6-5-;
InChIKeyNCJIGLWNILBHOM-YSMBQZINSA-N
MW204.36 g/mol
LogP5.18
Rot. Bonds2

About ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene

ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene (PubChem CID 145089984) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Nameethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
PubChem CID145089984
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Nameethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccc(C(C)C)cc1C.CC
InChIInChI=1S/C13H18.C2H6/c1-5-6-12-7-8-13(10(2)3)9-11(12)4;1-2/h5-10H,1-4H3;1-2H3/b6-5-;
InChIKeyNCJIGLWNILBHOM-YSMBQZINSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene?
The IUPAC name of ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene (CID 145089984) is ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene is C/C=C\c1ccc(C(C)C)cc1C.CC.
What is the InChIKey of ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene?
The InChIKey is NCJIGLWNILBHOM-YSMBQZINSA-N. The full InChI is InChI=1S/C13H18.C2H6/c1-5-6-12-7-8-13(10(2)3)9-11(12)4;1-2/h5-10H,1-4H3;1-2H3/b6-5-;.
What are the key properties of ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene?
ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene has a molecular weight of 204.36 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 145089984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).