1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol

C12H21ClO — CID 79558762

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol
SMILESOC(CCCCl)CC1CC2CCC1C2
InChIInChI=1S/C12H21ClO/c13-5-1-2-12(14)8-11-7-9-3-4-10(11)6-9/h9-12,14H,1-8H2
InChIKeyYYQLKMCYGZJRHC-UHFFFAOYSA-N
MW216.75 g/mol
LogP3.19
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol (PubChem CID 79558762) has the molecular formula C12H21ClO and a molecular weight of 216.75 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol
PubChem CID79558762
Molecular FormulaC12H21ClO
Molecular Weight216.75 g/mol
Exact Mass216.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol
SMILESOC(CCCCl)CC1CC2CCC1C2
InChIInChI=1S/C12H21ClO/c13-5-1-2-12(14)8-11-7-9-3-4-10(11)6-9/h9-12,14H,1-8H2
InChIKeyYYQLKMCYGZJRHC-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol
CID 79558645
1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
CID 79550906
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
1-(2-bicyclo[2.2.1]heptanyl)hex-4-yn-2-ol
CID 115779959
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol
CID 79558650
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine
CID 112562649
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloropropanenitrile
CID 79550056
2-(2-bicyclo[2.2.1]heptanyl)-1-(6-bicyclo[3.1.0]hexanyl)ethanol
CID 115821223

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol (CID 79558762) is 1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol is OC(CCCCl)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol?
The InChIKey is YYQLKMCYGZJRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO/c13-5-1-2-12(14)8-11-7-9-3-4-10(11)6-9/h9-12,14H,1-8H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol has a molecular weight of 216.75 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol is sourced from PubChem (CID 79558762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).