5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane

C25H46 — CID 123906789

IUPAC5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane
SMILESCCC1C(C)C1C(C)C(C)C(C)C(C)C(C)C1CC12C(C)C2C(C)C
InChIInChI=1S/C25H46/c1-11-21-19(9)23(21)18(8)16(6)14(4)15(5)17(7)22-12-25(22)20(10)24(25)13(2)3/h13-24H,11-12H2,1-10H3
InChIKeyOFLZFQNFGFITQP-UHFFFAOYSA-N
MW346.64 g/mol
LogP7.39
Rot. Bonds8

About 5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane

5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane (PubChem CID 123906789) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is 5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane.

Molecular Properties

Compound Name5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane
PubChem CID123906789
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane
SMILESCCC1C(C)C1C(C)C(C)C(C)C(C)C(C)C1CC12C(C)C2C(C)C
InChIInChI=1S/C25H46/c1-11-21-19(9)23(21)18(8)16(6)14(4)15(5)17(7)22-12-25(22)20(10)24(25)13(2)3/h13-24H,11-12H2,1-10H3
InChIKeyOFLZFQNFGFITQP-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane with MolForge

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Related Compounds

1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane
CID 91327441
1,2,4-triethyl-3-methyl-5-propan-2-ylcyclopentane
CID 123693329
1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane
CID 123523398
1-methyl-5-(2-methylcyclobutyl)-2-propan-2-ylspiro[2.2]pentane
CID 123255014
3-ethyl-1,2,2-trimethyl-1-[(2-methyl-3-propan-2-ylcyclopropyl)methyl]cyclobutane
CID 123224647
1-ethyl-3-methyl-2-propan-2-ylbicyclo[2.1.0]pentane
CID 123608958
(1R,2S,6R)-1-methyl-2-propan-2-ylspiro[2.3]hexan-6-amine
CID 160599403
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
CID 123596860
1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane
CID 123955120
1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane
CID 91175981
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane?
The IUPAC name of 5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane (CID 123906789) is 5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane.
What is the SMILES notation for 5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane?
The canonical SMILES for 5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane is CCC1C(C)C1C(C)C(C)C(C)C(C)C(C)C1CC12C(C)C2C(C)C.
What is the InChIKey of 5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane?
The InChIKey is OFLZFQNFGFITQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46/c1-11-21-19(9)23(21)18(8)16(6)14(4)15(5)17(7)22-12-25(22)20(10)24(25)13(2)3/h13-24H,11-12H2,1-10H3.
What are the key properties of 5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane?
5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane has a molecular weight of 346.64 g/mol, XLogP of 7.39, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane is sourced from PubChem (CID 123906789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).