4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane

C10H14O2 — CID 91101311

IUPAC4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane
SMILESC1=CCCC(CC2COCO2)=C1
InChIInChI=1S/C10H14O2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-2,4,10H,3,5-8H2
InChIKeyLSAPNCZXDICROC-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.03
Rot. Bonds2

About 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane

4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane (PubChem CID 91101311) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane
PubChem CID91101311
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane
SMILESC1=CCCC(CC2COCO2)=C1
InChIInChI=1S/C10H14O2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-2,4,10H,3,5-8H2
InChIKeyLSAPNCZXDICROC-UHFFFAOYSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane?
The IUPAC name of 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane (CID 91101311) is 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane.
What is the SMILES notation for 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane?
The canonical SMILES for 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane is C1=CCCC(CC2COCO2)=C1.
What is the InChIKey of 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane?
The InChIKey is LSAPNCZXDICROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-2,4,10H,3,5-8H2.
What are the key properties of 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane?
4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane has a molecular weight of 166.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-dioxolane is sourced from PubChem (CID 91101311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).