(2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine

C9H14O — CID 163995219

IUPAC(2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine
SMILESCC1(C)/C=C\O/C=C\CC1
InChIInChI=1S/C9H14O/c1-9(2)5-3-4-7-10-8-6-9/h4,6-8H,3,5H2,1-2H3/b7-4-,8-6-
InChIKeySKRWPEUNLZTFFN-TXHKFLPISA-N
MW138.21 g/mol
LogP2.85
Rot. Bonds

About (2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine

(2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine (PubChem CID 163995219) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine.

Molecular Properties

Compound Name(2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine
PubChem CID163995219
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine
SMILESCC1(C)/C=C\O/C=C\CC1
InChIInChI=1S/C9H14O/c1-9(2)5-3-4-7-10-8-6-9/h4,6-8H,3,5H2,1-2H3/b7-4-,8-6-
InChIKeySKRWPEUNLZTFFN-TXHKFLPISA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine?
The IUPAC name of (2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine (CID 163995219) is (2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine.
What is the SMILES notation for (2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine?
The canonical SMILES for (2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine is CC1(C)/C=C\O/C=C\CC1.
What is the InChIKey of (2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine?
The InChIKey is SKRWPEUNLZTFFN-TXHKFLPISA-N. The full InChI is InChI=1S/C9H14O/c1-9(2)5-3-4-7-10-8-6-9/h4,6-8H,3,5H2,1-2H3/b7-4-,8-6-.
What are the key properties of (2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine?
(2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine has a molecular weight of 138.21 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine is sourced from PubChem (CID 163995219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).