(6R)-6-chloro-4-methyloctan-1-ol

C9H19ClO — CID 88596196

IUPAC(6R)-6-chloro-4-methyloctan-1-ol
SMILESCC[C@@H](Cl)CC(C)CCCO
InChIInChI=1S/C9H19ClO/c1-3-9(10)7-8(2)5-4-6-11/h8-9,11H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyCLDPEKVZZMSSGL-YGPZHTELSA-N
MW178.70 g/mol
LogP2.80
Rot. Bonds6

About (6R)-6-chloro-4-methyloctan-1-ol

(6R)-6-chloro-4-methyloctan-1-ol (PubChem CID 88596196) has the molecular formula C9H19ClO and a molecular weight of 178.70 g/mol. Its IUPAC name is (6R)-6-chloro-4-methyloctan-1-ol.

Molecular Properties

Compound Name(6R)-6-chloro-4-methyloctan-1-ol
PubChem CID88596196
Molecular FormulaC9H19ClO
Molecular Weight178.70 g/mol
Exact Mass178.11
IUPAC Name(6R)-6-chloro-4-methyloctan-1-ol
SMILESCC[C@@H](Cl)CC(C)CCCO
InChIInChI=1S/C9H19ClO/c1-3-9(10)7-8(2)5-4-6-11/h8-9,11H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyCLDPEKVZZMSSGL-YGPZHTELSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-chloro-4-methyloctan-1-ol?
The IUPAC name of (6R)-6-chloro-4-methyloctan-1-ol (CID 88596196) is (6R)-6-chloro-4-methyloctan-1-ol.
What is the SMILES notation for (6R)-6-chloro-4-methyloctan-1-ol?
The canonical SMILES for (6R)-6-chloro-4-methyloctan-1-ol is CC[C@@H](Cl)CC(C)CCCO.
What is the InChIKey of (6R)-6-chloro-4-methyloctan-1-ol?
The InChIKey is CLDPEKVZZMSSGL-YGPZHTELSA-N. The full InChI is InChI=1S/C9H19ClO/c1-3-9(10)7-8(2)5-4-6-11/h8-9,11H,3-7H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (6R)-6-chloro-4-methyloctan-1-ol?
(6R)-6-chloro-4-methyloctan-1-ol has a molecular weight of 178.70 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-chloro-4-methyloctan-1-ol is sourced from PubChem (CID 88596196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).