(3R)-3-methyloctadecane

C19H40 — CID 98094048

IUPAC(3R)-3-methyloctadecane
SMILESCCCCCCCCCCCCCCC[C@H](C)CC
InChIInChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2/h19H,4-18H2,1-3H3/t19-/m1/s1
InChIKeyPGZRTPKNSFMAOP-LJQANCHMSA-N
MW268.53 g/mol
LogP7.51
Rot. Bonds15

About (3R)-3-methyloctadecane

(3R)-3-methyloctadecane (PubChem CID 98094048) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is (3R)-3-methyloctadecane.

Molecular Properties

Compound Name(3R)-3-methyloctadecane
PubChem CID98094048
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name(3R)-3-methyloctadecane
SMILESCCCCCCCCCCCCCCC[C@H](C)CC
InChIInChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2/h19H,4-18H2,1-3H3/t19-/m1/s1
InChIKeyPGZRTPKNSFMAOP-LJQANCHMSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.51
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
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
methane;3-methyltridecane
CID 161019087
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 (3R)-3-methyloctadecane?
The IUPAC name of (3R)-3-methyloctadecane (CID 98094048) is (3R)-3-methyloctadecane.
What is the SMILES notation for (3R)-3-methyloctadecane?
The canonical SMILES for (3R)-3-methyloctadecane is CCCCCCCCCCCCCCC[C@H](C)CC.
What is the InChIKey of (3R)-3-methyloctadecane?
The InChIKey is PGZRTPKNSFMAOP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2/h19H,4-18H2,1-3H3/t19-/m1/s1.
What are the key properties of (3R)-3-methyloctadecane?
(3R)-3-methyloctadecane has a molecular weight of 268.53 g/mol, XLogP of 7.51, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyloctadecane is sourced from PubChem (CID 98094048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).