2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane

C16H28 — CID 163492978

IUPAC2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane
SMILESCCCC1CC[C@H]1C1CCC(C)C2CCC21
InChIInChI=1S/C16H28/c1-3-4-12-6-8-14(12)16-7-5-11(2)13-9-10-15(13)16/h11-16H,3-10H2,1-2H3/t11?,12?,13?,14-,15?,16?/m1/s1
InChIKeyCOFUBCLEYOPGAN-QZUGDJDFSA-N
MW220.40 g/mol
LogP4.89
Rot. Bonds3

About 2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane

2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane (PubChem CID 163492978) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane.

Molecular Properties

Compound Name2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane
PubChem CID163492978
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane
SMILESCCCC1CC[C@H]1C1CCC(C)C2CCC21
InChIInChI=1S/C16H28/c1-3-4-12-6-8-14(12)16-7-5-11(2)13-9-10-15(13)16/h11-16H,3-10H2,1-2H3/t11?,12?,13?,14-,15?,16?/m1/s1
InChIKeyCOFUBCLEYOPGAN-QZUGDJDFSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 167543521
(1R)-1-methyl-2,3-dipropylcyclopentane
CID 168721749
(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane
CID 58708477
2-methyl-1,3-dipropylcyclopentane
CID 90887551
2-(1-propyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulen-4-yl)ethanamine
CID 134174348
ethane;1-methyl-2-propylcyclopropane
CID 144710386
2,3,5-trimethyl-1-propylcycloheptane
CID 123381227
1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59893526
2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane
CID 163656344
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane?
The IUPAC name of 2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane (CID 163492978) is 2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane.
What is the SMILES notation for 2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane?
The canonical SMILES for 2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane is CCCC1CC[C@H]1C1CCC(C)C2CCC21.
What is the InChIKey of 2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane?
The InChIKey is COFUBCLEYOPGAN-QZUGDJDFSA-N. The full InChI is InChI=1S/C16H28/c1-3-4-12-6-8-14(12)16-7-5-11(2)13-9-10-15(13)16/h11-16H,3-10H2,1-2H3/t11?,12?,13?,14-,15?,16?/m1/s1.
What are the key properties of 2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane?
2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane has a molecular weight of 220.40 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1R)-2-propylcyclobutyl]bicyclo[4.2.0]octane is sourced from PubChem (CID 163492978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).