7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane

C30H56 — CID 58552791

IUPAC7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane
SMILESCCCC1C(C)CCCC(C2CCCCCCCC2)CCCC1C1CCCCC1C
InChIInChI=1S/C30H56/c1-4-15-28-25(3)17-13-20-27(26-18-9-7-5-6-8-10-19-26)21-14-23-30(28)29-22-12-11-16-24(29)2/h24-30H,4-23H2,1-3H3
InChIKeyHIHJSRLCFYDGOM-UHFFFAOYSA-N
MW416.78 g/mol
LogP10.20
Rot. Bonds4

About 7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane

7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane (PubChem CID 58552791) has the molecular formula C30H56 and a molecular weight of 416.78 g/mol. Its IUPAC name is 7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane.

Molecular Properties

Compound Name7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane
PubChem CID58552791
Molecular FormulaC30H56
Molecular Weight416.78 g/mol
Exact Mass416.44
IUPAC Name7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane
SMILESCCCC1C(C)CCCC(C2CCCCCCCC2)CCCC1C1CCCCC1C
InChIInChI=1S/C30H56/c1-4-15-28-25(3)17-13-20-27(26-18-9-7-5-6-8-10-19-26)21-14-23-30(28)29-22-12-11-16-24(29)2/h24-30H,4-23H2,1-3H3
InChIKeyHIHJSRLCFYDGOM-UHFFFAOYSA-N
XLogP10.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.78
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-2-propylcycloheptane
CID 123611013
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914
acetylene;1-butyl-2-(2-methylcyclopentyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methanamine;prop-1-yne
CID 144586969
cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
1-cyclohexyl-6-propylcyclodecane
CID 58552139

Frequently Asked Questions

What is the IUPAC name of 7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane?
The IUPAC name of 7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane (CID 58552791) is 7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane.
What is the SMILES notation for 7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane?
The canonical SMILES for 7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane is CCCC1C(C)CCCC(C2CCCCCCCC2)CCCC1C1CCCCC1C.
What is the InChIKey of 7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane?
The InChIKey is HIHJSRLCFYDGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56/c1-4-15-28-25(3)17-13-20-27(26-18-9-7-5-6-8-10-19-26)21-14-23-30(28)29-22-12-11-16-24(29)2/h24-30H,4-23H2,1-3H3.
What are the key properties of 7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane?
7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane has a molecular weight of 416.78 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane is sourced from PubChem (CID 58552791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).