(6S)-2,6-dimethyloct-7-ene-2,3-diol

C10H20O2 — CID 10877605

IUPAC(6S)-2,6-dimethyloct-7-ene-2,3-diol
SMILESC=C[C@@H](C)CCC(O)C(C)(C)O
InChIInChI=1S/C10H20O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,8-9,11-12H,1,6-7H2,2-4H3/t8-,9?/m1/s1
InChIKeySKKRPDNROZIXRQ-VEDVMXKPSA-N
MW172.27 g/mol
LogP1.72
Rot. Bonds5

About (6S)-2,6-dimethyloct-7-ene-2,3-diol

(6S)-2,6-dimethyloct-7-ene-2,3-diol (PubChem CID 10877605) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (6S)-2,6-dimethyloct-7-ene-2,3-diol.

Molecular Properties

Compound Name(6S)-2,6-dimethyloct-7-ene-2,3-diol
PubChem CID10877605
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(6S)-2,6-dimethyloct-7-ene-2,3-diol
SMILESC=C[C@@H](C)CCC(O)C(C)(C)O
InChIInChI=1S/C10H20O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,8-9,11-12H,1,6-7H2,2-4H3/t8-,9?/m1/s1
InChIKeySKKRPDNROZIXRQ-VEDVMXKPSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-2,6-dimethyloct-7-ene-2,3-diol?
The IUPAC name of (6S)-2,6-dimethyloct-7-ene-2,3-diol (CID 10877605) is (6S)-2,6-dimethyloct-7-ene-2,3-diol.
What is the SMILES notation for (6S)-2,6-dimethyloct-7-ene-2,3-diol?
The canonical SMILES for (6S)-2,6-dimethyloct-7-ene-2,3-diol is C=C[C@@H](C)CCC(O)C(C)(C)O.
What is the InChIKey of (6S)-2,6-dimethyloct-7-ene-2,3-diol?
The InChIKey is SKKRPDNROZIXRQ-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,8-9,11-12H,1,6-7H2,2-4H3/t8-,9?/m1/s1.
What are the key properties of (6S)-2,6-dimethyloct-7-ene-2,3-diol?
(6S)-2,6-dimethyloct-7-ene-2,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,6-dimethyloct-7-ene-2,3-diol is sourced from PubChem (CID 10877605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).