ethane;methane;5-methylheptan-3-ylbenzene

C18H36 — CID 168921698

IUPACethane;methane;5-methylheptan-3-ylbenzene
SMILESC.C.CC.CCC(C)CC(CC)c1ccccc1
InChIInChI=1S/C14H22.C2H6.2CH4/c1-4-12(3)11-13(5-2)14-9-7-6-8-10-14;1-2;;/h6-10,12-13H,4-5,11H2,1-3H3;1-2H3;2*1H4
InChIKeyIZHQMXDKHSROPK-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.91
Rot. Bonds5

About ethane;methane;5-methylheptan-3-ylbenzene

ethane;methane;5-methylheptan-3-ylbenzene (PubChem CID 168921698) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is ethane;methane;5-methylheptan-3-ylbenzene.

Molecular Properties

Compound Nameethane;methane;5-methylheptan-3-ylbenzene
PubChem CID168921698
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Nameethane;methane;5-methylheptan-3-ylbenzene
SMILESC.C.CC.CCC(C)CC(CC)c1ccccc1
InChIInChI=1S/C14H22.C2H6.2CH4/c1-4-12(3)11-13(5-2)14-9-7-6-8-10-14;1-2;;/h6-10,12-13H,4-5,11H2,1-3H3;1-2H3;2*1H4
InChIKeyIZHQMXDKHSROPK-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 65430791
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
azane;pentan-3-ylbenzene
CID 19774895
(1-fluoro-1-phenylpentan-3-yl)benzene
CID 150013028
(2R,4R)-2-methyl-4-phenylhexanoic acid
CID 134848322
(4-methyl-2-phenylhexyl) dihydrogen phosphate
CID 59746070
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
4-(2,6-diphenyloctan-4-yl)pyridine;methane
CID 157478380
2-methyl-4-phenylhexanoate
CID 59456763
heptan-3-ylbenzene;methane
CID 159006232
ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485

Frequently Asked Questions

What is the IUPAC name of ethane;methane;5-methylheptan-3-ylbenzene?
The IUPAC name of ethane;methane;5-methylheptan-3-ylbenzene (CID 168921698) is ethane;methane;5-methylheptan-3-ylbenzene.
What is the SMILES notation for ethane;methane;5-methylheptan-3-ylbenzene?
The canonical SMILES for ethane;methane;5-methylheptan-3-ylbenzene is C.C.CC.CCC(C)CC(CC)c1ccccc1.
What is the InChIKey of ethane;methane;5-methylheptan-3-ylbenzene?
The InChIKey is IZHQMXDKHSROPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C2H6.2CH4/c1-4-12(3)11-13(5-2)14-9-7-6-8-10-14;1-2;;/h6-10,12-13H,4-5,11H2,1-3H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;5-methylheptan-3-ylbenzene?
ethane;methane;5-methylheptan-3-ylbenzene has a molecular weight of 252.49 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;5-methylheptan-3-ylbenzene is sourced from PubChem (CID 168921698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).