1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol

C14H22O — CID 71382568

IUPAC1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol
SMILESCC1=C(C)C2(C)C(C)=C(C)C2(C)C1(C)O
InChIInChI=1S/C14H22O/c1-8-10(3)13(6)12(8,5)9(2)11(4)14(13,7)15/h15H,1-7H3
InChIKeyCARFGNWKZPZRAL-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.45
Rot. Bonds

About 1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol

1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol (PubChem CID 71382568) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol
PubChem CID71382568
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol
SMILESCC1=C(C)C2(C)C(C)=C(C)C2(C)C1(C)O
InChIInChI=1S/C14H22O/c1-8-10(3)13(6)12(8,5)9(2)11(4)14(13,7)15/h15H,1-7H3
InChIKeyCARFGNWKZPZRAL-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol?
The IUPAC name of 1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol (CID 71382568) is 1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol.
What is the SMILES notation for 1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol?
The canonical SMILES for 1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol is CC1=C(C)C2(C)C(C)=C(C)C2(C)C1(C)O.
What is the InChIKey of 1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol?
The InChIKey is CARFGNWKZPZRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-8-10(3)13(6)12(8,5)9(2)11(4)14(13,7)15/h15H,1-7H3.
What are the key properties of 1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol?
1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptamethylbicyclo[3.2.0]hepta-3,6-dien-2-ol is sourced from PubChem (CID 71382568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).