(1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol

C11H20O — CID 130831750

IUPAC(1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol
SMILESC=CCC[C@]1(C)C[C@H](C)C[C@H]1O
InChIInChI=1S/C11H20O/c1-4-5-6-11(3)8-9(2)7-10(11)12/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-,11-/m1/s1
InChIKeyRGFLEDRBKLOLEP-GMTAPVOTSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds3

About (1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol

(1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol (PubChem CID 130831750) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol
PubChem CID130831750
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol
SMILESC=CCC[C@]1(C)C[C@H](C)C[C@H]1O
InChIInChI=1S/C11H20O/c1-4-5-6-11(3)8-9(2)7-10(11)12/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-,11-/m1/s1
InChIKeyRGFLEDRBKLOLEP-GMTAPVOTSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
CID 85299271
1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane
CID 165442798
(1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol
CID 54195839
trans-(1R,2R)-1-methyl-2-pent-4-enylcyclopropan-1-ol
CID 68751280
(1S,2R,3S)-1-but-3-enyl-3-hydroxy-2,3-dimethylcyclohexane-1-carbonitrile
CID 11694148
1-but-3-enyl-4,4-dimethylcycloheptan-1-ol
CID 130913852
3,5-dimethyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 165442273
3-bromo-1-but-3-enyl-1-methylcyclopentane
CID 116540764
3-but-3-enyl-3-methylcyclopentan-1-amine
CID 116538762
1-but-3-enyl-3-chloro-1-methylcyclopentane
CID 116540428
1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
CID 102051003
cis-(3S,4R)-3-but-3-enyl-3-methyl-4-propan-2-ylcyclopentan-1-one
CID 102312000

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol?
The IUPAC name of (1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol (CID 130831750) is (1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol?
The canonical SMILES for (1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol is C=CCC[C@]1(C)C[C@H](C)C[C@H]1O.
What is the InChIKey of (1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol?
The InChIKey is RGFLEDRBKLOLEP-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-11(3)8-9(2)7-10(11)12/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10-,11-/m1/s1.
What are the key properties of (1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol?
(1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130831750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).