1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane

C16H30 — CID 123786912

IUPAC1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
SMILESCCCC1CCCC(CCC2CC2C)CC1
InChIInChI=1S/C16H30/c1-3-5-14-6-4-7-15(9-8-14)10-11-16-12-13(16)2/h13-16H,3-12H2,1-2H3
InChIKeySQPOWUWDWQQHBO-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds5

About 1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane

1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane (PubChem CID 123786912) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane.

Molecular Properties

Compound Name1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
PubChem CID123786912
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
SMILESCCCC1CCCC(CCC2CC2C)CC1
InChIInChI=1S/C16H30/c1-3-5-14-6-4-7-15(9-8-14)10-11-16-12-13(16)2/h13-16H,3-12H2,1-2H3
InChIKeySQPOWUWDWQQHBO-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-methylcyclopropyl)ethylcyclohexane
CID 91503845
1-methyl-4-propylcycloheptane
CID 90967653
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
1-methyl-5-propylcyclononane
CID 54361658
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
propylcyclotetradecane
CID 90991550
ethane;1-methyl-2-propylcyclopropane
CID 144710386
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane
CID 154060560
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
4-propylcycloheptan-1-ol
CID 15687798

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane?
The IUPAC name of 1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane (CID 123786912) is 1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane.
What is the SMILES notation for 1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane?
The canonical SMILES for 1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane is CCCC1CCCC(CCC2CC2C)CC1.
What is the InChIKey of 1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane?
The InChIKey is SQPOWUWDWQQHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-3-5-14-6-4-7-15(9-8-14)10-11-16-12-13(16)2/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane?
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane is sourced from PubChem (CID 123786912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).