1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene

C26H26 — CID 143463536

IUPAC1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene
SMILESC=C/C=c1/ccc(-c2cccccccccccc(C)c2C)cc1=C
InChIInChI=1S/C26H26/c1-5-15-24-18-19-25(20-22(24)3)26-17-14-12-10-8-6-7-9-11-13-16-21(2)23(26)4/h5-20H,1,3H2,2,4H3/b7-6-,8-6+,9-7+,10-8+,11-9+,12-10-,13-11-,14-12-,16-13-,17-14+,21-16+,23-21+,24-15-,26-17-,26-23+
InChIKeyAEWJYASMMRLFAO-MDMBBZDZSA-N
MW338.49 g/mol
LogP5.60
Rot. Bonds2

About 1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene

1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene (PubChem CID 143463536) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene
PubChem CID143463536
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene
SMILESC=C/C=c1/ccc(-c2cccccccccccc(C)c2C)cc1=C
InChIInChI=1S/C26H26/c1-5-15-24-18-19-25(20-22(24)3)26-17-14-12-10-8-6-7-9-11-13-16-21(2)23(26)4/h5-20H,1,3H2,2,4H3/b7-6-,8-6+,9-7+,10-8+,11-9+,12-10-,13-11-,14-12-,16-13-,17-14+,21-16+,23-21+,24-15-,26-17-,26-23+
InChIKeyAEWJYASMMRLFAO-MDMBBZDZSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene (CID 143463536) is 1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene is C=C/C=c1/ccc(-c2cccccccccccc(C)c2C)cc1=C.
What is the InChIKey of 1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is AEWJYASMMRLFAO-MDMBBZDZSA-N. The full InChI is InChI=1S/C26H26/c1-5-15-24-18-19-25(20-22(24)3)26-17-14-12-10-8-6-7-9-11-13-16-21(2)23(26)4/h5-20H,1,3H2,2,4H3/b7-6-,8-6+,9-7+,10-8+,11-9+,12-10-,13-11-,14-12-,16-13-,17-14+,21-16+,23-21+,24-15-,26-17-,26-23+.
What are the key properties of 1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene?
1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 338.49 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(4Z)-3-methylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclotetradeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 143463536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).