6,12-dimethylhexadecylcyclopentane;ethane;methane

C26H56 — CID 145468436

IUPAC6,12-dimethylhexadecylcyclopentane;ethane;methane
SMILESC.CC.CCCCC(C)CCCCCC(C)CCCCCC1CCCC1
InChIInChI=1S/C23H46.C2H6.CH4/c1-4-5-14-21(2)15-8-6-9-16-22(3)17-10-7-11-18-23-19-12-13-20-23;1-2;/h21-23H,4-20H2,1-3H3;1-2H3;1H4
InChIKeyPSOLELYAGZBBPQ-UHFFFAOYSA-N
MW368.73 g/mol
LogP10.20
Rot. Bonds15

About 6,12-dimethylhexadecylcyclopentane;ethane;methane

6,12-dimethylhexadecylcyclopentane;ethane;methane (PubChem CID 145468436) has the molecular formula C26H56 and a molecular weight of 368.73 g/mol. Its IUPAC name is 6,12-dimethylhexadecylcyclopentane;ethane;methane.

Molecular Properties

Compound Name6,12-dimethylhexadecylcyclopentane;ethane;methane
PubChem CID145468436
Molecular FormulaC26H56
Molecular Weight368.73 g/mol
Exact Mass368.44
IUPAC Name6,12-dimethylhexadecylcyclopentane;ethane;methane
SMILESC.CC.CCCCC(C)CCCCCC(C)CCCCCC1CCCC1
InChIInChI=1S/C23H46.C2H6.CH4/c1-4-5-14-21(2)15-8-6-9-16-22(3)17-10-7-11-18-23-19-12-13-20-23;1-2;/h21-23H,4-20H2,1-3H3;1-2H3;1H4
InChIKeyPSOLELYAGZBBPQ-UHFFFAOYSA-N
XLogP10.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.73
LogP ≤ 510.20
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

(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
13-methyltetradecylcyclopentane
CID 123698808
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
(7-ethylsulfanyl-6-methylheptyl)cyclopentane
CID 170850385
7-methylnonylcyclopropane
CID 123906260
azane;heptylcyclohexane
CID 121434222
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
CID 162290746
1-cyclobutylnonan-5-ylcyclobutane
CID 173183497
ethene;pentylcyclopentane
CID 145442606

Frequently Asked Questions

What is the IUPAC name of 6,12-dimethylhexadecylcyclopentane;ethane;methane?
The IUPAC name of 6,12-dimethylhexadecylcyclopentane;ethane;methane (CID 145468436) is 6,12-dimethylhexadecylcyclopentane;ethane;methane.
What is the SMILES notation for 6,12-dimethylhexadecylcyclopentane;ethane;methane?
The canonical SMILES for 6,12-dimethylhexadecylcyclopentane;ethane;methane is C.CC.CCCCC(C)CCCCCC(C)CCCCCC1CCCC1.
What is the InChIKey of 6,12-dimethylhexadecylcyclopentane;ethane;methane?
The InChIKey is PSOLELYAGZBBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46.C2H6.CH4/c1-4-5-14-21(2)15-8-6-9-16-22(3)17-10-7-11-18-23-19-12-13-20-23;1-2;/h21-23H,4-20H2,1-3H3;1-2H3;1H4.
What are the key properties of 6,12-dimethylhexadecylcyclopentane;ethane;methane?
6,12-dimethylhexadecylcyclopentane;ethane;methane has a molecular weight of 368.73 g/mol, XLogP of 10.20, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dimethylhexadecylcyclopentane;ethane;methane is sourced from PubChem (CID 145468436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).