4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane

C18H24O — CID 70544439

IUPAC4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane
SMILESCC1(C)CC(C2=CCCC=C2)(C2=CCCC=C2)CO1
InChIInChI=1S/C18H24O/c1-17(2)13-18(14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h5,7,9-12H,3-4,6,8,13-14H2,1-2H3
InChIKeyMSFIZPKEKNGEEQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.72
Rot. Bonds2

About 4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane

4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane (PubChem CID 70544439) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane
PubChem CID70544439
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane
SMILESCC1(C)CC(C2=CCCC=C2)(C2=CCCC=C2)CO1
InChIInChI=1S/C18H24O/c1-17(2)13-18(14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h5,7,9-12H,3-4,6,8,13-14H2,1-2H3
InChIKeyMSFIZPKEKNGEEQ-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane?
The IUPAC name of 4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane (CID 70544439) is 4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane.
What is the SMILES notation for 4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane?
The canonical SMILES for 4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane is CC1(C)CC(C2=CCCC=C2)(C2=CCCC=C2)CO1.
What is the InChIKey of 4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane?
The InChIKey is MSFIZPKEKNGEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-17(2)13-18(14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h5,7,9-12H,3-4,6,8,13-14H2,1-2H3.
What are the key properties of 4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane?
4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane has a molecular weight of 256.39 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(cyclohexa-1,5-dien-1-yl)-2,2-dimethyloxolane is sourced from PubChem (CID 70544439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).