(3R)-3,7-dimethyloct-7-ene-1,6-diol

C10H20O2 — CID 21309200

IUPAC(3R)-3,7-dimethyloct-7-ene-1,6-diol
SMILESC=C(C)C(O)CC[C@@H](C)CCO
InChIInChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h9-12H,1,4-7H2,2-3H3/t9-,10?/m1/s1
InChIKeyHWNJNAUJFVQJRV-YHMJZVADSA-N
MW172.27 g/mol
LogP1.72
Rot. Bonds6

About (3R)-3,7-dimethyloct-7-ene-1,6-diol

(3R)-3,7-dimethyloct-7-ene-1,6-diol (PubChem CID 21309200) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R)-3,7-dimethyloct-7-ene-1,6-diol.

Molecular Properties

Compound Name(3R)-3,7-dimethyloct-7-ene-1,6-diol
PubChem CID21309200
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3R)-3,7-dimethyloct-7-ene-1,6-diol
SMILESC=C(C)C(O)CC[C@@H](C)CCO
InChIInChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h9-12H,1,4-7H2,2-3H3/t9-,10?/m1/s1
InChIKeyHWNJNAUJFVQJRV-YHMJZVADSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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 (3R)-3,7-dimethyloct-7-ene-1,6-diol?
The IUPAC name of (3R)-3,7-dimethyloct-7-ene-1,6-diol (CID 21309200) is (3R)-3,7-dimethyloct-7-ene-1,6-diol.
What is the SMILES notation for (3R)-3,7-dimethyloct-7-ene-1,6-diol?
The canonical SMILES for (3R)-3,7-dimethyloct-7-ene-1,6-diol is C=C(C)C(O)CC[C@@H](C)CCO.
What is the InChIKey of (3R)-3,7-dimethyloct-7-ene-1,6-diol?
The InChIKey is HWNJNAUJFVQJRV-YHMJZVADSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h9-12H,1,4-7H2,2-3H3/t9-,10?/m1/s1.
What are the key properties of (3R)-3,7-dimethyloct-7-ene-1,6-diol?
(3R)-3,7-dimethyloct-7-ene-1,6-diol has a molecular weight of 172.27 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-dimethyloct-7-ene-1,6-diol is sourced from PubChem (CID 21309200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).