4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane

C17H27ClO — CID 107383750

IUPAC4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane
SMILESClC1C=C(C2CCOC3(CCCCC3)C2)CCCC1
InChIInChI=1S/C17H27ClO/c18-16-7-3-2-6-14(12-16)15-8-11-19-17(13-15)9-4-1-5-10-17/h12,15-16H,1-11,13H2
InChIKeyFZAKYMGOFZPVIW-UHFFFAOYSA-N
MW282.86 g/mol
LogP5.22
Rot. Bonds1

About 4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane

4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane (PubChem CID 107383750) has the molecular formula C17H27ClO and a molecular weight of 282.86 g/mol. Its IUPAC name is 4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane
PubChem CID107383750
Molecular FormulaC17H27ClO
Molecular Weight282.86 g/mol
Exact Mass282.18
IUPAC Name4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane
SMILESClC1C=C(C2CCOC3(CCCCC3)C2)CCCC1
InChIInChI=1S/C17H27ClO/c18-16-7-3-2-6-14(12-16)15-8-11-19-17(13-15)9-4-1-5-10-17/h12,15-16H,1-11,13H2
InChIKeyFZAKYMGOFZPVIW-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.86
LogP ≤ 55.22
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

8-(3-chlorocyclohepten-1-yl)-5-oxaspiro[3.5]nonane
CID 107384031
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-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
2-(cyclohexen-1-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 116661279
2-(6-oxaspiro[4.6]undecan-10-yl)pyridine
CID 166663519
(3-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787426
6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133421176
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one
CID 116538544
(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915288

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane?
The IUPAC name of 4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane (CID 107383750) is 4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane?
The canonical SMILES for 4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane is ClC1C=C(C2CCOC3(CCCCC3)C2)CCCC1.
What is the InChIKey of 4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane?
The InChIKey is FZAKYMGOFZPVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO/c18-16-7-3-2-6-14(12-16)15-8-11-19-17(13-15)9-4-1-5-10-17/h12,15-16H,1-11,13H2.
What are the key properties of 4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane?
4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane has a molecular weight of 282.86 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorocyclohepten-1-yl)-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 107383750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).