1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane

C18H36 — CID 90869417

IUPAC1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane
SMILESCCCCC(C)C(CC(C)CC)C1CC1C(C)C
InChIInChI=1S/C18H36/c1-7-9-10-15(6)17(11-14(5)8-2)18-12-16(18)13(3)4/h13-18H,7-12H2,1-6H3
InChIKeySXDZPYQQFVSXRH-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.16
Rot. Bonds9

About 1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane

1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane (PubChem CID 90869417) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane
PubChem CID90869417
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane
SMILESCCCCC(C)C(CC(C)CC)C1CC1C(C)C
InChIInChI=1S/C18H36/c1-7-9-10-15(6)17(11-14(5)8-2)18-12-16(18)13(3)4/h13-18H,7-12H2,1-6H3
InChIKeySXDZPYQQFVSXRH-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
3,5,6-trimethyldecane
CID 57490917
3,6-dimethyl-5-propan-2-yldecane
CID 123254389
1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane
CID 123453301
3-methyl-N-propan-2-ylnonan-5-amine
CID 79413294
5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane
CID 143342016
3-methylheptane;nickel
CID 158967838
1-(2,3-dimethylheptyl)-2-ethylcyclopropane
CID 123157589
3,7-dimethyl-6-(2-methylpropyl)undecane
CID 123589473
6-butyl-3,7-dimethylundecane
CID 123359248
5-butyl-3-methyldodecane
CID 91590933
3-methyl-2-(2-methylbutyl)decanoic acid
CID 151509127

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane?
The IUPAC name of 1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane (CID 90869417) is 1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane is CCCCC(C)C(CC(C)CC)C1CC1C(C)C.
What is the InChIKey of 1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane?
The InChIKey is SXDZPYQQFVSXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-7-9-10-15(6)17(11-14(5)8-2)18-12-16(18)13(3)4/h13-18H,7-12H2,1-6H3.
What are the key properties of 1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane?
1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane has a molecular weight of 252.49 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane is sourced from PubChem (CID 90869417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).