(2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol

C10H19ClO — CID 124706401

IUPAC(2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CCC[C@@H](C)[C@@H](Cl)CO
InChIInChI=1S/C10H19ClO/c1-8(2)5-4-6-9(3)10(11)7-12/h5,9-10,12H,4,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyVSMFXJDXZRQEHE-ZJUUUORDSA-N
MW190.71 g/mol
LogP2.97
Rot. Bonds5

About (2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol

(2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol (PubChem CID 124706401) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is (2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Name(2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol
PubChem CID124706401
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name(2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CCC[C@@H](C)[C@@H](Cl)CO
InChIInChI=1S/C10H19ClO/c1-8(2)5-4-6-9(3)10(11)7-12/h5,9-10,12H,4,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyVSMFXJDXZRQEHE-ZJUUUORDSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol?
The IUPAC name of (2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol (CID 124706401) is (2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol.
What is the SMILES notation for (2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol?
The canonical SMILES for (2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol is CC(C)=CCC[C@@H](C)[C@@H](Cl)CO.
What is the InChIKey of (2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol?
The InChIKey is VSMFXJDXZRQEHE-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19ClO/c1-8(2)5-4-6-9(3)10(11)7-12/h5,9-10,12H,4,6-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol?
(2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol has a molecular weight of 190.71 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-chloro-3,7-dimethyloct-6-en-1-ol is sourced from PubChem (CID 124706401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).