3-chloro-1-cycloheptyloxyspiro[3.6]decane

C17H29ClO — CID 66345621

IUPAC3-chloro-1-cycloheptyloxyspiro[3.6]decane
SMILESClC1CC(OC2CCCCCC2)C12CCCCCC2
InChIInChI=1S/C17H29ClO/c18-15-13-16(17(15)11-7-3-4-8-12-17)19-14-9-5-1-2-6-10-14/h14-16H,1-13H2
InChIKeyNUHRCYUWAKUVKE-UHFFFAOYSA-N
MW284.87 g/mol
LogP5.45
Rot. Bonds2

About 3-chloro-1-cycloheptyloxyspiro[3.6]decane

3-chloro-1-cycloheptyloxyspiro[3.6]decane (PubChem CID 66345621) has the molecular formula C17H29ClO and a molecular weight of 284.87 g/mol. Its IUPAC name is 3-chloro-1-cycloheptyloxyspiro[3.6]decane.

Molecular Properties

Compound Name3-chloro-1-cycloheptyloxyspiro[3.6]decane
PubChem CID66345621
Molecular FormulaC17H29ClO
Molecular Weight284.87 g/mol
Exact Mass284.19
IUPAC Name3-chloro-1-cycloheptyloxyspiro[3.6]decane
SMILESClC1CC(OC2CCCCCC2)C12CCCCCC2
InChIInChI=1S/C17H29ClO/c18-15-13-16(17(15)11-7-3-4-8-12-17)19-14-9-5-1-2-6-10-14/h14-16H,1-13H2
InChIKeyNUHRCYUWAKUVKE-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.87
LogP ≤ 55.45
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-cyclohexyloxy-N-ethylspiro[3.5]nonan-1-amine
CID 66358779
3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723538
1-(4-tert-butylphenoxy)-3-chlorospiro[3.5]nonane
CID 66345050
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-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
CID 103176169
3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane
CID 66346319
3-chloro-1-(4-iodophenoxy)spiro[3.5]nonane
CID 66343866
3-chloro-1-pentan-2-yloxyspiro[3.5]nonane
CID 102988681
3-chloro-1-[4-(trifluoromethyl)phenoxy]spiro[3.4]octane
CID 66343448
N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine
CID 66357175
3-(3-methylcyclohexyl)oxyspiro[3.5]nonan-1-ol
CID 66366293

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-cycloheptyloxyspiro[3.6]decane?
The IUPAC name of 3-chloro-1-cycloheptyloxyspiro[3.6]decane (CID 66345621) is 3-chloro-1-cycloheptyloxyspiro[3.6]decane.
What is the SMILES notation for 3-chloro-1-cycloheptyloxyspiro[3.6]decane?
The canonical SMILES for 3-chloro-1-cycloheptyloxyspiro[3.6]decane is ClC1CC(OC2CCCCCC2)C12CCCCCC2.
What is the InChIKey of 3-chloro-1-cycloheptyloxyspiro[3.6]decane?
The InChIKey is NUHRCYUWAKUVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClO/c18-15-13-16(17(15)11-7-3-4-8-12-17)19-14-9-5-1-2-6-10-14/h14-16H,1-13H2.
What are the key properties of 3-chloro-1-cycloheptyloxyspiro[3.6]decane?
3-chloro-1-cycloheptyloxyspiro[3.6]decane has a molecular weight of 284.87 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-cycloheptyloxyspiro[3.6]decane is sourced from PubChem (CID 66345621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).