3-chloro-1-pentan-2-yloxyspiro[3.5]nonane

C14H25ClO — CID 102988681

IUPAC3-chloro-1-pentan-2-yloxyspiro[3.5]nonane
SMILESCCCC(C)OC1CC(Cl)C12CCCCC2
InChIInChI=1S/C14H25ClO/c1-3-7-11(2)16-13-10-12(15)14(13)8-5-4-6-9-14/h11-13H,3-10H2,1-2H3
InChIKeyCUHNCRKQOCRGND-UHFFFAOYSA-N
MW244.81 g/mol
LogP4.52
Rot. Bonds4

About 3-chloro-1-pentan-2-yloxyspiro[3.5]nonane

3-chloro-1-pentan-2-yloxyspiro[3.5]nonane (PubChem CID 102988681) has the molecular formula C14H25ClO and a molecular weight of 244.81 g/mol. Its IUPAC name is 3-chloro-1-pentan-2-yloxyspiro[3.5]nonane.

Molecular Properties

Compound Name3-chloro-1-pentan-2-yloxyspiro[3.5]nonane
PubChem CID102988681
Molecular FormulaC14H25ClO
Molecular Weight244.81 g/mol
Exact Mass244.16
IUPAC Name3-chloro-1-pentan-2-yloxyspiro[3.5]nonane
SMILESCCCC(C)OC1CC(Cl)C12CCCCC2
InChIInChI=1S/C14H25ClO/c1-3-7-11(2)16-13-10-12(15)14(13)8-5-4-6-9-14/h11-13H,3-10H2,1-2H3
InChIKeyCUHNCRKQOCRGND-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-octan-2-yloxyspiro[3.4]octane
CID 66343644
3-bromo-1-pentan-2-yloxyspiro[3.5]nonane
CID 102988701
3-pentan-2-yloxyspiro[3.5]nonan-1-ol
CID 102988636
2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane
CID 102988683
3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723538
3-chloro-1-(2-ethylhexoxy)spiro[3.4]octane
CID 66344483
3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine
CID 66357190
3-chloro-1-cycloheptyloxyspiro[3.6]decane
CID 66345621
3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane
CID 82009453
3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane
CID 66346140
3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane
CID 66345879
3-chloro-1-(2-ethylphenoxy)spiro[3.6]decane
CID 66343872

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-pentan-2-yloxyspiro[3.5]nonane?
The IUPAC name of 3-chloro-1-pentan-2-yloxyspiro[3.5]nonane (CID 102988681) is 3-chloro-1-pentan-2-yloxyspiro[3.5]nonane.
What is the SMILES notation for 3-chloro-1-pentan-2-yloxyspiro[3.5]nonane?
The canonical SMILES for 3-chloro-1-pentan-2-yloxyspiro[3.5]nonane is CCCC(C)OC1CC(Cl)C12CCCCC2.
What is the InChIKey of 3-chloro-1-pentan-2-yloxyspiro[3.5]nonane?
The InChIKey is CUHNCRKQOCRGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO/c1-3-7-11(2)16-13-10-12(15)14(13)8-5-4-6-9-14/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-chloro-1-pentan-2-yloxyspiro[3.5]nonane?
3-chloro-1-pentan-2-yloxyspiro[3.5]nonane has a molecular weight of 244.81 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-pentan-2-yloxyspiro[3.5]nonane is sourced from PubChem (CID 102988681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).