1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane

C19H38 — CID 123143515

IUPAC1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane
SMILESCCCCC(C)CCC(CC)C1C(C)C(C)C1CC
InChIInChI=1S/C19H38/c1-7-10-11-14(4)12-13-17(8-2)19-16(6)15(5)18(19)9-3/h14-19H,7-13H2,1-6H3
InChIKeyMTPFGSPXRLHPBN-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.55
Rot. Bonds9

About 1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane

1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane (PubChem CID 123143515) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane
PubChem CID123143515
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane
SMILESCCCCC(C)CCC(CC)C1C(C)C(C)C1CC
InChIInChI=1S/C19H38/c1-7-10-11-14(4)12-13-17(8-2)19-16(6)15(5)18(19)9-3/h14-19H,7-13H2,1-6H3
InChIKeyMTPFGSPXRLHPBN-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R,6S)-3,6-dimethyldecane
CID 170848353
3-ethyl-6-methyldecane
CID 57490928
5,7,10-trimethyltetradecane
CID 91033593
5,8,18,24-tetramethylhentriacontane
CID 6430103
3,11-dimethylpentadecane
CID 58340720
(3S,6R)-6-methyldecan-3-amine
CID 88893264
5,17-dimethylnonacosane
CID 56936184
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,15-dimethylpentatriacontane
CID 6430641

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane?
The IUPAC name of 1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane (CID 123143515) is 1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane?
The canonical SMILES for 1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane is CCCCC(C)CCC(CC)C1C(C)C(C)C1CC.
What is the InChIKey of 1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane?
The InChIKey is MTPFGSPXRLHPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-7-10-11-14(4)12-13-17(8-2)19-16(6)15(5)18(19)9-3/h14-19H,7-13H2,1-6H3.
What are the key properties of 1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane?
1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane has a molecular weight of 266.51 g/mol, XLogP of 6.55, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane is sourced from PubChem (CID 123143515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).