(4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane

C12H20 — CID 158852115

IUPAC(4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane
SMILESC1CCC(CC2C3CC[C@@H]2C3)C1
InChIInChI=1S/C12H20/c1-2-4-9(3-1)7-12-10-5-6-11(12)8-10/h9-12H,1-8H2/t10-,11?,12?/m1/s1
InChIKeyIZOYWDAQVJIGBB-VOMCLLRMSA-N
MW164.29 g/mol
LogP3.61
Rot. Bonds2

About (4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane

(4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane (PubChem CID 158852115) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane.

Molecular Properties

Compound Name(4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane
PubChem CID158852115
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane
SMILESC1CCC(CC2C3CC[C@@H]2C3)C1
InChIInChI=1S/C12H20/c1-2-4-9(3-1)7-12-10-5-6-11(12)8-10/h9-12H,1-8H2/t10-,11?,12?/m1/s1
InChIKeyIZOYWDAQVJIGBB-VOMCLLRMSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclopentadecylmethylcyclopentadecane
CID 91804599
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
CID 143182183
carbanide;bis(cyclopentane);cyclopentylmethylcyclopentane;bis(iron(2+))
CID 162297269
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
CID 101344536
CID 101344536
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
1-chloro-3-(cyclopentylmethyl)cyclohexane
CID 64515899
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene;1-(cyclohexylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 158442689
1-(cyclobutylmethyl)-3-(2-methylcyclopropyl)cyclopentane
CID 163519251

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane?
The IUPAC name of (4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane (CID 158852115) is (4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane.
What is the SMILES notation for (4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane?
The canonical SMILES for (4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane is C1CCC(CC2C3CC[C@@H]2C3)C1.
What is the InChIKey of (4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane?
The InChIKey is IZOYWDAQVJIGBB-VOMCLLRMSA-N. The full InChI is InChI=1S/C12H20/c1-2-4-9(3-1)7-12-10-5-6-11(12)8-10/h9-12H,1-8H2/t10-,11?,12?/m1/s1.
What are the key properties of (4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane?
(4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane has a molecular weight of 164.29 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(cyclopentylmethyl)bicyclo[2.1.1]hexane is sourced from PubChem (CID 158852115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).