7-chloro-7-methyloctan-1-ol

C9H19ClO — CID 139625698

IUPAC7-chloro-7-methyloctan-1-ol
SMILESCC(C)(Cl)CCCCCCO
InChIInChI=1S/C9H19ClO/c1-9(2,10)7-5-3-4-6-8-11/h11H,3-8H2,1-2H3
InChIKeyFGUKOAHOSCGZDW-UHFFFAOYSA-N
MW178.70 g/mol
LogP2.95
Rot. Bonds6

About 7-chloro-7-methyloctan-1-ol

7-chloro-7-methyloctan-1-ol (PubChem CID 139625698) has the molecular formula C9H19ClO and a molecular weight of 178.70 g/mol. Its IUPAC name is 7-chloro-7-methyloctan-1-ol.

Molecular Properties

Compound Name7-chloro-7-methyloctan-1-ol
PubChem CID139625698
Molecular FormulaC9H19ClO
Molecular Weight178.70 g/mol
Exact Mass178.11
IUPAC Name7-chloro-7-methyloctan-1-ol
SMILESCC(C)(Cl)CCCCCCO
InChIInChI=1S/C9H19ClO/c1-9(2,10)7-5-3-4-6-8-11/h11H,3-8H2,1-2H3
InChIKeyFGUKOAHOSCGZDW-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-methylheptadecane
CID 19869804
azane;2-chloro-2-methyltridecane
CID 87093642
8,8,9,9,9-pentachlorononan-1-ol
CID 87333897
7-hydroxy-2,2-dimethylheptanoyl chloride
CID 138737346
6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
CID 142777284
2-chloro-2-methylundecane;ethene
CID 158323150
5-chloro-4,4-dimethylpentan-1-ol
CID 139625740
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
7-methoxy-7-methyloctan-1-ol
CID 175444354
7,7-dimethyldocosan-1-ol
CID 150860437
4-methyl-4-octyldodecan-1-ol
CID 87375187
4,4-dimethylpentan-1-ol;tungsten
CID 140674577

Frequently Asked Questions

What is the IUPAC name of 7-chloro-7-methyloctan-1-ol?
The IUPAC name of 7-chloro-7-methyloctan-1-ol (CID 139625698) is 7-chloro-7-methyloctan-1-ol.
What is the SMILES notation for 7-chloro-7-methyloctan-1-ol?
The canonical SMILES for 7-chloro-7-methyloctan-1-ol is CC(C)(Cl)CCCCCCO.
What is the InChIKey of 7-chloro-7-methyloctan-1-ol?
The InChIKey is FGUKOAHOSCGZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO/c1-9(2,10)7-5-3-4-6-8-11/h11H,3-8H2,1-2H3.
What are the key properties of 7-chloro-7-methyloctan-1-ol?
7-chloro-7-methyloctan-1-ol has a molecular weight of 178.70 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-7-methyloctan-1-ol is sourced from PubChem (CID 139625698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).