methane;3-methyltridecane

C16H38 — CID 161019087

IUPACmethane;3-methyltridecane
SMILESC.C.CCCCCCCCCCC(C)CC
InChIInChI=1S/C14H30.2CH4/c1-4-6-7-8-9-10-11-12-13-14(3)5-2;;/h14H,4-13H2,1-3H3;2*1H4
InChIKeyTYCTZFQQRUCWLV-UHFFFAOYSA-N
MW230.48 g/mol
LogP6.84
Rot. Bonds10

About methane;3-methyltridecane

methane;3-methyltridecane (PubChem CID 161019087) has the molecular formula C16H38 and a molecular weight of 230.48 g/mol. Its IUPAC name is methane;3-methyltridecane.

Molecular Properties

Compound Namemethane;3-methyltridecane
PubChem CID161019087
Molecular FormulaC16H38
Molecular Weight230.48 g/mol
Exact Mass230.30
IUPAC Namemethane;3-methyltridecane
SMILESC.C.CCCCCCCCCCC(C)CC
InChIInChI=1S/C14H30.2CH4/c1-4-6-7-8-9-10-11-12-13-14(3)5-2;;/h14H,4-13H2,1-3H3;2*1H4
InChIKeyTYCTZFQQRUCWLV-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.48
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
azane;3-methylnonane
CID 88699159
3,14-dimethylhexacosane
CID 91515224

Frequently Asked Questions

What is the IUPAC name of methane;3-methyltridecane?
The IUPAC name of methane;3-methyltridecane (CID 161019087) is methane;3-methyltridecane.
What is the SMILES notation for methane;3-methyltridecane?
The canonical SMILES for methane;3-methyltridecane is C.C.CCCCCCCCCCC(C)CC.
What is the InChIKey of methane;3-methyltridecane?
The InChIKey is TYCTZFQQRUCWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.2CH4/c1-4-6-7-8-9-10-11-12-13-14(3)5-2;;/h14H,4-13H2,1-3H3;2*1H4.
What are the key properties of methane;3-methyltridecane?
methane;3-methyltridecane has a molecular weight of 230.48 g/mol, XLogP of 6.84, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyltridecane is sourced from PubChem (CID 161019087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).