1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane

C13H26 — CID 91327441

IUPAC1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane
SMILESCCC1C(C)C1C(C)C(C)C(C)C
InChIInChI=1S/C13H26/c1-7-12-11(6)13(12)10(5)9(4)8(2)3/h8-13H,7H2,1-6H3
InChIKeyDINOJFSHCDMAQD-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.21
Rot. Bonds4

About 1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane

1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane (PubChem CID 91327441) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane.

Molecular Properties

Compound Name1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane
PubChem CID91327441
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane
SMILESCCC1C(C)C1C(C)C(C)C(C)C
InChIInChI=1S/C13H26/c1-7-12-11(6)13(12)10(5)9(4)8(2)3/h8-13H,7H2,1-6H3
InChIKeyDINOJFSHCDMAQD-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane
CID 123523398
5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane
CID 123906789
1,2,4-triethyl-3-methyl-5-propan-2-ylcyclopentane
CID 123693329
2-(3,4-dimethylpentan-2-yl)-1,3,4-trimethylcyclopentane
CID 123864307
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane
CID 90998982
1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane
CID 123211802
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
CID 123596860
1-(2-ethyl-3-methylcyclopropyl)-3-methylbutan-2-amine
CID 155273756
1-(3,4-dimethylpentan-2-yl)-4-methylcyclohexane
CID 123566081

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane?
The IUPAC name of 1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane (CID 91327441) is 1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane.
What is the SMILES notation for 1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane?
The canonical SMILES for 1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane is CCC1C(C)C1C(C)C(C)C(C)C.
What is the InChIKey of 1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane?
The InChIKey is DINOJFSHCDMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-7-12-11(6)13(12)10(5)9(4)8(2)3/h8-13H,7H2,1-6H3.
What are the key properties of 1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane?
1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane is sourced from PubChem (CID 91327441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).