(7-methyl-3-propylundecyl)cyclopropane

C18H36 — CID 123743915

IUPAC(7-methyl-3-propylundecyl)cyclopropane
SMILESCCCCC(C)CCCC(CCC)CCC1CC1
InChIInChI=1S/C18H36/c1-4-6-9-16(3)10-7-11-17(8-5-2)12-13-18-14-15-18/h16-18H,4-15H2,1-3H3
InChIKeyVDADHSAZGYAJHM-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.59
Rot. Bonds12

About (7-methyl-3-propylundecyl)cyclopropane

(7-methyl-3-propylundecyl)cyclopropane (PubChem CID 123743915) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (7-methyl-3-propylundecyl)cyclopropane.

Molecular Properties

Compound Name(7-methyl-3-propylundecyl)cyclopropane
PubChem CID123743915
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(7-methyl-3-propylundecyl)cyclopropane
SMILESCCCCC(C)CCCC(CCC)CCC1CC1
InChIInChI=1S/C18H36/c1-4-6-9-16(3)10-7-11-17(8-5-2)12-13-18-14-15-18/h16-18H,4-15H2,1-3H3
InChIKeyVDADHSAZGYAJHM-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-methyl-5-propyltetradecane
CID 59977731
10-methyl-6,15-dipropylicosane
CID 144641599
3-methyl-7-propylundecane
CID 123449834
5,9-dibutyl-13-propylheptadecane
CID 58862392
1-(3-butylheptyl)-6-methylcyclodecane
CID 135036007
1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane
CID 163917952
7-butyl-4-methylundecane
CID 59977721
methane;4-propyloctane
CID 160687994
6,12-dimethylhexadecylcyclopentane;ethane;methane
CID 145468436
(3-ethyl-14-methyl-11-pentan-2-ylhexadecyl)cyclopropane
CID 123672585
3-ethylhexylcyclopentane
CID 123372890
3-ethylpentylcyclopropane
CID 91030831

Frequently Asked Questions

What is the IUPAC name of (7-methyl-3-propylundecyl)cyclopropane?
The IUPAC name of (7-methyl-3-propylundecyl)cyclopropane (CID 123743915) is (7-methyl-3-propylundecyl)cyclopropane.
What is the SMILES notation for (7-methyl-3-propylundecyl)cyclopropane?
The canonical SMILES for (7-methyl-3-propylundecyl)cyclopropane is CCCCC(C)CCCC(CCC)CCC1CC1.
What is the InChIKey of (7-methyl-3-propylundecyl)cyclopropane?
The InChIKey is VDADHSAZGYAJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-4-6-9-16(3)10-7-11-17(8-5-2)12-13-18-14-15-18/h16-18H,4-15H2,1-3H3.
What are the key properties of (7-methyl-3-propylundecyl)cyclopropane?
(7-methyl-3-propylundecyl)cyclopropane has a molecular weight of 252.49 g/mol, XLogP of 6.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-3-propylundecyl)cyclopropane is sourced from PubChem (CID 123743915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).