8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane

C15H23ClO — CID 107384031

IUPAC8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane
SMILESClC1C=C(C2CCOC3(CCC3)C2)CCCC1
InChIInChI=1S/C15H23ClO/c16-14-5-2-1-4-12(10-14)13-6-9-17-15(11-13)7-3-8-15/h10,13-14H,1-9,11H2
InChIKeyHHTCSBYWGQKZAB-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.44
Rot. Bonds1

About 8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane

8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane (PubChem CID 107384031) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is 8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane
PubChem CID107384031
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane
SMILESClC1C=C(C2CCOC3(CCC3)C2)CCCC1
InChIInChI=1S/C15H23ClO/c16-14-5-2-1-4-12(10-14)13-6-9-17-15(11-13)7-3-8-15/h10,13-14H,1-9,11H2
InChIKeyHHTCSBYWGQKZAB-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane
CID 107383750
3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
CID 79922624
2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894496
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549
(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010217
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913175
4-(methylamino)-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79923576
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79901632
8-(3-chloropropyl)-5-oxaspiro[3.5]nonane
CID 79923660

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane?
The IUPAC name of 8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane (CID 107384031) is 8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane.
What is the SMILES notation for 8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane?
The canonical SMILES for 8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane is ClC1C=C(C2CCOC3(CCC3)C2)CCCC1.
What is the InChIKey of 8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane?
The InChIKey is HHTCSBYWGQKZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c16-14-5-2-1-4-12(10-14)13-6-9-17-15(11-13)7-3-8-15/h10,13-14H,1-9,11H2.
What are the key properties of 8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane?
8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane has a molecular weight of 254.80 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane is sourced from PubChem (CID 107384031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).