1,2-dimethyl-4-propylbicyclo[1.1.1]pentane

C10H18 — CID 91437599

IUPAC1,2-dimethyl-4-propylbicyclo[1.1.1]pentane
SMILESCCCC1C2CC1(C)C2C
InChIInChI=1S/C10H18/c1-4-5-9-8-6-10(9,3)7(8)2/h7-9H,4-6H2,1-3H3
InChIKeyLXHDIZZFIVHTLQ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds2

About 1,2-dimethyl-4-propylbicyclo[1.1.1]pentane

1,2-dimethyl-4-propylbicyclo[1.1.1]pentane (PubChem CID 91437599) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2-dimethyl-4-propylbicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1,2-dimethyl-4-propylbicyclo[1.1.1]pentane
PubChem CID91437599
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2-dimethyl-4-propylbicyclo[1.1.1]pentane
SMILESCCCC1C2CC1(C)C2C
InChIInChI=1S/C10H18/c1-4-5-9-8-6-10(9,3)7(8)2/h7-9H,4-6H2,1-3H3
InChIKeyLXHDIZZFIVHTLQ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,5,10-tetramethyl-3-propan-2-yl-4-propyltricyclo[5.2.1.03,8]decane
CID 123140355
1,1-dichloro-2-methyl-3-propylcyclopropane
CID 13285011
1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane
CID 138707050
1,1-diethyl-2-methyl-3-propylcyclopropane
CID 140701623
1,1,3-trimethyl-2-propylcyclopentane
CID 154529227
1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane
CID 90470477
1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane
CID 123430128
1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane
CID 123900503
1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane
CID 123564326
1,1-dimethyl-3-propylcyclobutane
CID 19073360
1,1,2,5,5-pentamethyl-3-propylcyclohexane
CID 59420056
1-methyl-2-pentylbicyclo[1.1.0]butane
CID 90877052

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propylbicyclo[1.1.1]pentane?
The IUPAC name of 1,2-dimethyl-4-propylbicyclo[1.1.1]pentane (CID 91437599) is 1,2-dimethyl-4-propylbicyclo[1.1.1]pentane.
What is the SMILES notation for 1,2-dimethyl-4-propylbicyclo[1.1.1]pentane?
The canonical SMILES for 1,2-dimethyl-4-propylbicyclo[1.1.1]pentane is CCCC1C2CC1(C)C2C.
What is the InChIKey of 1,2-dimethyl-4-propylbicyclo[1.1.1]pentane?
The InChIKey is LXHDIZZFIVHTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-5-9-8-6-10(9,3)7(8)2/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-propylbicyclo[1.1.1]pentane?
1,2-dimethyl-4-propylbicyclo[1.1.1]pentane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propylbicyclo[1.1.1]pentane is sourced from PubChem (CID 91437599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).