(3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine

C15H16O — CID 167169788

IUPAC(3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine
SMILESC=C1/C=C(C)\C=C/Cc2c(C)cccc2O1
InChIInChI=1S/C15H16O/c1-11-6-4-8-14-12(2)7-5-9-15(14)16-13(3)10-11/h4-7,9-10H,3,8H2,1-2H3/b6-4-,11-10-
InChIKeyQURFYCBHQGZSBK-RCORZRHRSA-N
MW212.29 g/mol
LogP3.95
Rot. Bonds

About (3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine

(3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine (PubChem CID 167169788) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine.

Molecular Properties

Compound Name(3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine
PubChem CID167169788
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine
SMILESC=C1/C=C(C)\C=C/Cc2c(C)cccc2O1
InChIInChI=1S/C15H16O/c1-11-6-4-8-14-12(2)7-5-9-15(14)16-13(3)10-11/h4-7,9-10H,3,8H2,1-2H3/b6-4-,11-10-
InChIKeyQURFYCBHQGZSBK-RCORZRHRSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine?
The IUPAC name of (3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine (CID 167169788) is (3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine.
What is the SMILES notation for (3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine?
The canonical SMILES for (3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine is C=C1/C=C(C)\C=C/Cc2c(C)cccc2O1.
What is the InChIKey of (3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine?
The InChIKey is QURFYCBHQGZSBK-RCORZRHRSA-N. The full InChI is InChI=1S/C15H16O/c1-11-6-4-8-14-12(2)7-5-9-15(14)16-13(3)10-11/h4-7,9-10H,3,8H2,1-2H3/b6-4-,11-10-.
What are the key properties of (3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine?
(3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine has a molecular weight of 212.29 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine is sourced from PubChem (CID 167169788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).