(2E)-3,7-dimethylocta-2,7-diene-1,6-diol

C10H18O2 — CID 12536844

IUPAC(2E)-3,7-dimethylocta-2,7-diene-1,6-diol
SMILESC=C(C)C(O)CC/C(C)=C/CO
InChIInChI=1S/C10H18O2/c1-8(2)10(12)5-4-9(3)6-7-11/h6,10-12H,1,4-5,7H2,2-3H3/b9-6+
InChIKeyFRUCUVNBDSNCEC-RMKNXTFCSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds5

About (2E)-3,7-dimethylocta-2,7-diene-1,6-diol

(2E)-3,7-dimethylocta-2,7-diene-1,6-diol (PubChem CID 12536844) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2E)-3,7-dimethylocta-2,7-diene-1,6-diol.

Molecular Properties

Compound Name(2E)-3,7-dimethylocta-2,7-diene-1,6-diol
PubChem CID12536844
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2E)-3,7-dimethylocta-2,7-diene-1,6-diol
SMILESC=C(C)C(O)CC/C(C)=C/CO
InChIInChI=1S/C10H18O2/c1-8(2)10(12)5-4-9(3)6-7-11/h6,10-12H,1,4-5,7H2,2-3H3/b9-6+
InChIKeyFRUCUVNBDSNCEC-RMKNXTFCSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

Carveol
CID 7438
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
Plaunotol
CID 5282197
2-Octen-4-ol, (2E)-
CID 5366203
4,8-Dimethyl-3,7-nonadien-2-ol
CID 5365818
2,6-Dimethyl-2,6-octadiene-1,8-diol, (2E,6E)-
CID 5363397
Ipsdienol
CID 92301
(+)-cis-Carveol
CID 443177
(+)-trans-Carveol
CID 443178
2-Methyl-6-methylene-2,7-octadien-4-ol
CID 85734
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
CID 181296

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethylocta-2,7-diene-1,6-diol?
The IUPAC name of (2E)-3,7-dimethylocta-2,7-diene-1,6-diol (CID 12536844) is (2E)-3,7-dimethylocta-2,7-diene-1,6-diol.
What is the SMILES notation for (2E)-3,7-dimethylocta-2,7-diene-1,6-diol?
The canonical SMILES for (2E)-3,7-dimethylocta-2,7-diene-1,6-diol is C=C(C)C(O)CC/C(C)=C/CO.
What is the InChIKey of (2E)-3,7-dimethylocta-2,7-diene-1,6-diol?
The InChIKey is FRUCUVNBDSNCEC-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)10(12)5-4-9(3)6-7-11/h6,10-12H,1,4-5,7H2,2-3H3/b9-6+.
What are the key properties of (2E)-3,7-dimethylocta-2,7-diene-1,6-diol?
(2E)-3,7-dimethylocta-2,7-diene-1,6-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethylocta-2,7-diene-1,6-diol is sourced from PubChem (CID 12536844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).