4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane

C15H25ClO2 — CID 79924165

IUPAC4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
SMILESCC1C(Cl)CCC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H25ClO2/c1-11-13(2-3-14(11)16)12-4-7-18-15(10-12)5-8-17-9-6-15/h11-14H,2-10H2,1H3
InChIKeyONWMFWMMGZEOBD-UHFFFAOYSA-N
MW272.82 g/mol
LogP3.62
Rot. Bonds1

About 4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane

4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane (PubChem CID 79924165) has the molecular formula C15H25ClO2 and a molecular weight of 272.82 g/mol. Its IUPAC name is 4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
PubChem CID79924165
Molecular FormulaC15H25ClO2
Molecular Weight272.82 g/mol
Exact Mass272.15
IUPAC Name4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
SMILESCC1C(Cl)CCC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H25ClO2/c1-11-13(2-3-14(11)16)12-4-7-18-15(10-12)5-8-17-9-6-15/h11-14H,2-10H2,1H3
InChIKeyONWMFWMMGZEOBD-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
CID 79923916
4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
CID 79919791
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
CID 81014927
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
CID 79919575
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81033462
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine
CID 79922466
3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one
CID 79924212
4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79919680
4-(3-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924284

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane?
The IUPAC name of 4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane (CID 79924165) is 4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane?
The canonical SMILES for 4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane is CC1C(Cl)CCC1C1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane?
The InChIKey is ONWMFWMMGZEOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO2/c1-11-13(2-3-14(11)16)12-4-7-18-15(10-12)5-8-17-9-6-15/h11-14H,2-10H2,1H3.
What are the key properties of 4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane?
4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane has a molecular weight of 272.82 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane is sourced from PubChem (CID 79924165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).