(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene

C25H20O — CID 130211791

IUPAC(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene
SMILESC=C/C=C1\C(=C)C(C)(C)c2cc3ccc4c5ccccc5oc4c3cc21
InChIInChI=1S/C25H20O/c1-5-8-17-15(2)25(3,4)22-13-16-11-12-19-18-9-6-7-10-23(18)26-24(19)20(16)14-21(17)22/h5-14H,1-2H2,3-4H3/b17-8+
InChIKeyNVHQLCHUIIVIGL-CAOOACKPSA-N
MW336.43 g/mol
LogP7.16
Rot. Bonds1

About (5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene

(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene (PubChem CID 130211791) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is (5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene.

Molecular Properties

Compound Name(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene
PubChem CID130211791
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene
SMILESC=C/C=C1\C(=C)C(C)(C)c2cc3ccc4c5ccccc5oc4c3cc21
InChIInChI=1S/C25H20O/c1-5-8-17-15(2)25(3,4)22-13-16-11-12-19-18-9-6-7-10-23(18)26-24(19)20(16)14-21(17)22/h5-14H,1-2H2,3-4H3/b17-8+
InChIKeyNVHQLCHUIIVIGL-CAOOACKPSA-N
XLogP7.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
The IUPAC name of (5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene (CID 130211791) is (5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene.
What is the SMILES notation for (5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
The canonical SMILES for (5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene is C=C/C=C1\C(=C)C(C)(C)c2cc3ccc4c5ccccc5oc4c3cc21.
What is the InChIKey of (5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
The InChIKey is NVHQLCHUIIVIGL-CAOOACKPSA-N. The full InChI is InChI=1S/C25H20O/c1-5-8-17-15(2)25(3,4)22-13-16-11-12-19-18-9-6-7-10-23(18)26-24(19)20(16)14-21(17)22/h5-14H,1-2H2,3-4H3/b17-8+.
What are the key properties of (5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
(5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene has a molecular weight of 336.43 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-7,7-dimethyl-6-methylidene-5-prop-2-enylidene-20-oxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene is sourced from PubChem (CID 130211791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).