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

C10H19ClO — CID 124706434

IUPAC(2S,3S)-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+/m0/s1
InChIKeyVSMFXJDXZRQEHE-VHSXEESVSA-N
MW190.71 g/mol
LogP2.97
Rot. Bonds5

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

(2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol (PubChem CID 124706434) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is (2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol
PubChem CID124706434
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name(2S,3S)-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+/m0/s1
InChIKeyVSMFXJDXZRQEHE-VHSXEESVSA-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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Related Compounds

5-Chloro-3,6-dimethylhept-6-en-1-ol
CID 134934523
(Z,2S)-2-chloronon-6-en-1-ol
CID 135054050
(2S,3S)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 135063657
1-Chloro-4,8-dimethyl-1-trimethylsilylnon-7-en-2-ol
CID 135075472
(2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 135080389
(4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol
CID 138977954
(2R,3S)-3-chloro-3,7-dimethyloct-6-ene-1,2-diol
CID 13608884
(2S,3R)-3-chloro-3,7-dimethyloct-6-ene-1,2-diol
CID 13608885
3-Chloro-2,4-dimethylhept-6-en-1-ol
CID 18920898
2,3-Dichloro-2,4-dimethylhept-6-en-1-ol
CID 18921068
2-Chloro-2,4-dimethylhept-6-en-1-ol
CID 18921080
8-Chloro-8-methoxy-2,6-dimethyloct-2-ene
CID 20437933

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol?
The IUPAC name of (2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol (CID 124706434) is (2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol.
What is the SMILES notation for (2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol?
The canonical SMILES for (2S,3S)-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 (2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol?
The InChIKey is VSMFXJDXZRQEHE-VHSXEESVSA-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+/m0/s1.
What are the key properties of (2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol?
(2S,3S)-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 (2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol is sourced from PubChem (CID 124706434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).