1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol

C18H26O3 — CID 18728445

IUPAC1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCc1cc(C)c(C2(O)CCC(C)(C)CC2)c2c1OCCO2
InChIInChI=1S/C18H26O3/c1-12-11-13(2)15-16(21-10-9-20-15)14(12)18(19)7-5-17(3,4)6-8-18/h11,19H,5-10H2,1-4H3
InChIKeyRWACCNNOGJXCLT-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.86
Rot. Bonds1

About 1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol

1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 18728445) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol
PubChem CID18728445
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCc1cc(C)c(C2(O)CCC(C)(C)CC2)c2c1OCCO2
InChIInChI=1S/C18H26O3/c1-12-11-13(2)15-16(21-10-9-20-15)14(12)18(19)7-5-17(3,4)6-8-18/h11,19H,5-10H2,1-4H3
InChIKeyRWACCNNOGJXCLT-UHFFFAOYSA-N
XLogP3.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol (CID 18728445) is 1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol is Cc1cc(C)c(C2(O)CCC(C)(C)CC2)c2c1OCCO2.
What is the InChIKey of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is RWACCNNOGJXCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-12-11-13(2)15-16(21-10-9-20-15)14(12)18(19)7-5-17(3,4)6-8-18/h11,19H,5-10H2,1-4H3.
What are the key properties of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol?
1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 290.40 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 18728445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).