(3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane

C19H30O — CID 143232216

IUPAC(3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane
SMILESC/C1=C/C=C\C(C)c2ccccc2OC1.CC.CCC
InChIInChI=1S/C14H16O.C3H8.C2H6/c1-11-6-5-7-12(2)13-8-3-4-9-14(13)15-10-11;1-3-2;1-2/h3-9,12H,10H2,1-2H3;3H2,1-2H3;1-2H3/b7-5-,11-6-;;
InChIKeyHWTLYVHMOFZQDV-JYWCHBJUSA-N
MW274.45 g/mol
LogP6.13
Rot. Bonds

About (3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane

(3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane (PubChem CID 143232216) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is (3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane.

Molecular Properties

Compound Name(3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane
PubChem CID143232216
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name(3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane
SMILESC/C1=C/C=C\C(C)c2ccccc2OC1.CC.CCC
InChIInChI=1S/C14H16O.C3H8.C2H6/c1-11-6-5-7-12(2)13-8-3-4-9-14(13)15-10-11;1-3-2;1-2/h3-9,12H,10H2,1-2H3;3H2,1-2H3;1-2H3/b7-5-,11-6-;;
InChIKeyHWTLYVHMOFZQDV-JYWCHBJUSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene
CID 171088384
3,3-difluoro-4-methyl-2,4-dihydrochromene
CID 156843702
9-methyl-9H-xanthene;propane
CID 143256907
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1,4-dimethyl-1,4-dihydronaphthalene
CID 13283200
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene
CID 13361004
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 114698615
ethane;propane;1,2,3-trimethyl-1H-indene
CID 142448762
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
10-methyl-8-oxatricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene
CID 143232100

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane?
The IUPAC name of (3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane (CID 143232216) is (3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane.
What is the SMILES notation for (3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane?
The canonical SMILES for (3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane is C/C1=C/C=C\C(C)c2ccccc2OC1.CC.CCC.
What is the InChIKey of (3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane?
The InChIKey is HWTLYVHMOFZQDV-JYWCHBJUSA-N. The full InChI is InChI=1S/C14H16O.C3H8.C2H6/c1-11-6-5-7-12(2)13-8-3-4-9-14(13)15-10-11;1-3-2;1-2/h3-9,12H,10H2,1-2H3;3H2,1-2H3;1-2H3/b7-5-,11-6-;;.
What are the key properties of (3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane?
(3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane has a molecular weight of 274.45 g/mol, XLogP of 6.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,7-dimethyl-2,7-dihydro-1-benzoxonine;ethane;propane is sourced from PubChem (CID 143232216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).