(E)-3-methyl-7-methylideneoct-2-ene-1,8-diol

C10H18O2 — CID 6430784

IUPAC(E)-3-methyl-7-methylideneoct-2-ene-1,8-diol
SMILESC=C(CO)CCC/C(C)=C/CO
InChIInChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h6,11-12H,2-5,7-8H2,1H3/b9-6+
InChIKeyKTRBKSRKPJSTKT-RMKNXTFCSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds6

About (E)-3-methyl-7-methylideneoct-2-ene-1,8-diol

(E)-3-methyl-7-methylideneoct-2-ene-1,8-diol (PubChem CID 6430784) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-3-methyl-7-methylideneoct-2-ene-1,8-diol.

Molecular Properties

Compound Name(E)-3-methyl-7-methylideneoct-2-ene-1,8-diol
PubChem CID6430784
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-3-methyl-7-methylideneoct-2-ene-1,8-diol
SMILESC=C(CO)CCC/C(C)=C/CO
InChIInChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h6,11-12H,2-5,7-8H2,1H3/b9-6+
InChIKeyKTRBKSRKPJSTKT-RMKNXTFCSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
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 (E)-3-methyl-7-methylideneoct-2-ene-1,8-diol?
The IUPAC name of (E)-3-methyl-7-methylideneoct-2-ene-1,8-diol (CID 6430784) is (E)-3-methyl-7-methylideneoct-2-ene-1,8-diol.
What is the SMILES notation for (E)-3-methyl-7-methylideneoct-2-ene-1,8-diol?
The canonical SMILES for (E)-3-methyl-7-methylideneoct-2-ene-1,8-diol is C=C(CO)CCC/C(C)=C/CO.
What is the InChIKey of (E)-3-methyl-7-methylideneoct-2-ene-1,8-diol?
The InChIKey is KTRBKSRKPJSTKT-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h6,11-12H,2-5,7-8H2,1H3/b9-6+.
What are the key properties of (E)-3-methyl-7-methylideneoct-2-ene-1,8-diol?
(E)-3-methyl-7-methylideneoct-2-ene-1,8-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-7-methylideneoct-2-ene-1,8-diol is sourced from PubChem (CID 6430784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).