4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane

C12H21ClO — CID 79852870

IUPAC4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane
SMILESCC1(C)CCCCC12CC(Cl)CCO2
InChIInChI=1S/C12H21ClO/c1-11(2)6-3-4-7-12(11)9-10(13)5-8-14-12/h10H,3-9H2,1-2H3
InChIKeyPLBIOPGPMMGUKA-UHFFFAOYSA-N
MW216.75 g/mol
LogP3.74
Rot. Bonds

About 4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane

4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane (PubChem CID 79852870) has the molecular formula C12H21ClO and a molecular weight of 216.75 g/mol. Its IUPAC name is 4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane
PubChem CID79852870
Molecular FormulaC12H21ClO
Molecular Weight216.75 g/mol
Exact Mass216.13
IUPAC Name4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane
SMILESCC1(C)CCCCC12CC(Cl)CCO2
InChIInChI=1S/C12H21ClO/c1-11(2)6-3-4-7-12(11)9-10(13)5-8-14-12/h10H,3-9H2,1-2H3
InChIKeyPLBIOPGPMMGUKA-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.75
LogP ≤ 53.74
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

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CID 79863526
4,4-dimethyl-1-oxaspiro[2.5]octane
CID 11829539
4-chloro-2-methyl-2-(oxolan-2-yl)oxane
CID 130577734
4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane
CID 107450417
9-chloro-3-ethyl-6-oxaspiro[4.5]decane
CID 64515030
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787700
(2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 640677
(3aR,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 11469119
(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 124636274
(3aR,5aS,9aR,9bR)-3a,5a,6,6,9a-pentamethyl-1,2,4,5,7,8,9,9b-octahydrobenzo[e][1]benzofuran
CID 58426114
(3aS,9aR,9bS)-3a,5a,6,6,9a-pentamethyl-1,2,4,5,7,8,9,9b-octahydrobenzo[e][1]benzofuran
CID 169186803
(3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane]
CID 135195190

Frequently Asked Questions

What is the IUPAC name of 4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane?
The IUPAC name of 4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane (CID 79852870) is 4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane?
The canonical SMILES for 4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane is CC1(C)CCCCC12CC(Cl)CCO2.
What is the InChIKey of 4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane?
The InChIKey is PLBIOPGPMMGUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO/c1-11(2)6-3-4-7-12(11)9-10(13)5-8-14-12/h10H,3-9H2,1-2H3.
What are the key properties of 4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane?
4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane has a molecular weight of 216.75 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 79852870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).