methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene

C16H26 — CID 160825618

IUPACmethane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene
SMILESC.CC(C)=CCC[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C15H22.CH4/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15;/h6,8-11,14H,5,7H2,1-4H3;1H4/t14-;/m0./s1
InChIKeySGCSGNMULQRFCT-UQKRIMTDSA-N
MW218.38 g/mol
LogP5.48
Rot. Bonds4

About methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene

methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene (PubChem CID 160825618) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene.

Molecular Properties

Compound Namemethane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene
PubChem CID160825618
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Namemethane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene
SMILESC.CC(C)=CCC[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C15H22.CH4/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15;/h6,8-11,14H,5,7H2,1-4H3;1H4/t14-;/m0./s1
InChIKeySGCSGNMULQRFCT-UQKRIMTDSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene?
The IUPAC name of methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene (CID 160825618) is methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene.
What is the SMILES notation for methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene?
The canonical SMILES for methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene is C.CC(C)=CCC[C@H](C)c1ccc(C)cc1.
What is the InChIKey of methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene?
The InChIKey is SGCSGNMULQRFCT-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H22.CH4/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15;/h6,8-11,14H,5,7H2,1-4H3;1H4/t14-;/m0./s1.
What are the key properties of methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene?
methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene has a molecular weight of 218.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene is sourced from PubChem (CID 160825618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).