2-chloro-2-methyldecane-1,1-diol

C11H23ClO2 — CID 88640854

IUPAC2-chloro-2-methyldecane-1,1-diol
SMILESCCCCCCCCC(C)(Cl)C(O)O
InChIInChI=1S/C11H23ClO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h10,13-14H,3-9H2,1-2H3
InChIKeyFUCQFTQFRMNZJN-UHFFFAOYSA-N
MW222.76 g/mol
LogP3.05
Rot. Bonds8

About 2-chloro-2-methyldecane-1,1-diol

2-chloro-2-methyldecane-1,1-diol (PubChem CID 88640854) has the molecular formula C11H23ClO2 and a molecular weight of 222.76 g/mol. Its IUPAC name is 2-chloro-2-methyldecane-1,1-diol.

Molecular Properties

Compound Name2-chloro-2-methyldecane-1,1-diol
PubChem CID88640854
Molecular FormulaC11H23ClO2
Molecular Weight222.76 g/mol
Exact Mass222.14
IUPAC Name2-chloro-2-methyldecane-1,1-diol
SMILESCCCCCCCCC(C)(Cl)C(O)O
InChIInChI=1S/C11H23ClO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h10,13-14H,3-9H2,1-2H3
InChIKeyFUCQFTQFRMNZJN-UHFFFAOYSA-N
XLogP3.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-chloro-3-methylpentadecan-2-ol
CID 87770465
2-chloro-2-methylheptadecane
CID 19869804
azane;2-chloro-2-methyltridecane
CID 87093642
3,3-dimethylnonan-2-ol
CID 19931299
2,2-diethyloctane-1,1-diol
CID 18324063
3,3-dimethyldecan-2-ol
CID 87975868
11-chloro-11-decylpentacosane
CID 19690403
7-chloro-7-hexylheptadecane
CID 141000501
1,1,1-trichlorononane
CID 6420387
11-chloro-11-nonylhenicosane
CID 154304707
2-chloro-2-methylundecane;ethene
CID 158323150
3-chloro-3-methyloctadecane
CID 158282272

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methyldecane-1,1-diol?
The IUPAC name of 2-chloro-2-methyldecane-1,1-diol (CID 88640854) is 2-chloro-2-methyldecane-1,1-diol.
What is the SMILES notation for 2-chloro-2-methyldecane-1,1-diol?
The canonical SMILES for 2-chloro-2-methyldecane-1,1-diol is CCCCCCCCC(C)(Cl)C(O)O.
What is the InChIKey of 2-chloro-2-methyldecane-1,1-diol?
The InChIKey is FUCQFTQFRMNZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h10,13-14H,3-9H2,1-2H3.
What are the key properties of 2-chloro-2-methyldecane-1,1-diol?
2-chloro-2-methyldecane-1,1-diol has a molecular weight of 222.76 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methyldecane-1,1-diol is sourced from PubChem (CID 88640854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).