(9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine

C10H16O2 — CID 10702265

IUPAC(9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine
SMILESC=C1C/C(C)=C\OCCCCO1
InChIInChI=1S/C10H16O2/c1-9-7-10(2)12-6-4-3-5-11-8-9/h8H,2-7H2,1H3/b9-8-
InChIKeyPAWDUTCKGZUEOP-HJWRWDBZSA-N
MW168.24 g/mol
LogP2.62
Rot. Bonds

About (9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine

(9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine (PubChem CID 10702265) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine.

Molecular Properties

Compound Name(9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine
PubChem CID10702265
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine
SMILESC=C1C/C(C)=C\OCCCCO1
InChIInChI=1S/C10H16O2/c1-9-7-10(2)12-6-4-3-5-11-8-9/h8H,2-7H2,1H3/b9-8-
InChIKeyPAWDUTCKGZUEOP-HJWRWDBZSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine?
The IUPAC name of (9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine (CID 10702265) is (9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine.
What is the SMILES notation for (9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine?
The canonical SMILES for (9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine is C=C1C/C(C)=C\OCCCCO1.
What is the InChIKey of (9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine?
The InChIKey is PAWDUTCKGZUEOP-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-7-10(2)12-6-4-3-5-11-8-9/h8H,2-7H2,1H3/b9-8-.
What are the key properties of (9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine?
(9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine has a molecular weight of 168.24 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-methyl-7-methylidene-3,4,5,8-tetrahydro-2H-1,6-dioxecine is sourced from PubChem (CID 10702265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).