3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C20H36O2 — CID 135367664

IUPAC3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC(C)(O)CCC=C(C)C.CC1(C)C2CCC1(C)C(O)C2
InChIInChI=1S/2C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-5-10(4,11)8-6-7-9(2)3/h7-8,11H,4-6H2,1-3H3;5,7,11H,1,6,8H2,2-4H3
InChIKeyULJVZWGNFFKYCG-UHFFFAOYSA-N
MW308.51 g/mol
LogP4.86
Rot. Bonds4

About 3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 135367664) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID135367664
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC(C)(O)CCC=C(C)C.CC1(C)C2CCC1(C)C(O)C2
InChIInChI=1S/2C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-5-10(4,11)8-6-7-9(2)3/h7-8,11H,4-6H2,1-3H3;5,7,11H,1,6,8H2,2-4H3
InChIKeyULJVZWGNFFKYCG-UHFFFAOYSA-N
XLogP4.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.86
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 3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 135367664) is 3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is C=CC(C)(O)CCC=C(C)C.CC1(C)C2CCC1(C)C(O)C2.
What is the InChIKey of 3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is ULJVZWGNFFKYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-5-10(4,11)8-6-7-9(2)3/h7-8,11H,4-6H2,1-3H3;5,7,11H,1,6,8H2,2-4H3.
What are the key properties of 3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 308.51 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 135367664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).