(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene

C50H52 — CID 160905157

IUPAC(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccccc1C.C/C=c1/cc2ccccc2c/c1=C/C.C/C=c1/ccc2cccc3ccc(C)c1c32.C/C=c1/cccc/c1=C/C
InChIInChI=1S/C16H14.C14H14.2C10H12/c1-3-12-9-10-14-6-4-5-13-8-7-11(2)15(12)16(13)14;1-3-11-9-13-7-5-6-8-14(13)10-12(11)4-2;1-3-6-10-8-5-4-7-9(10)2;1-3-9-7-5-6-8-10(9)4-2/h3-10H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3/b12-3-;11-3-,12-4-;6-3-;9-3-,10-4-
InChIKeySQASDEVKRLKRGL-ZORQAJSKSA-N
MW652.97 g/mol
LogP10.58
Rot. Bonds1

About (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene

(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene (PubChem CID 160905157) has the molecular formula C50H52 and a molecular weight of 652.97 g/mol. Its IUPAC name is (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene
PubChem CID160905157
Molecular FormulaC50H52
Molecular Weight652.97 g/mol
Exact Mass652.41
IUPAC Name(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccccc1C.C/C=c1/cc2ccccc2c/c1=C/C.C/C=c1/ccc2cccc3ccc(C)c1c32.C/C=c1/cccc/c1=C/C
InChIInChI=1S/C16H14.C14H14.2C10H12/c1-3-12-9-10-14-6-4-5-13-8-7-11(2)15(12)16(13)14;1-3-11-9-13-7-5-6-8-14(13)10-12(11)4-2;1-3-6-10-8-5-4-7-9(10)2;1-3-9-7-5-6-8-10(9)4-2/h3-10H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3/b12-3-;11-3-,12-4-;6-3-;9-3-,10-4-
InChIKeySQASDEVKRLKRGL-ZORQAJSKSA-N
XLogP10.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.97
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene with MolForge

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Related Compounds

ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
ethane;(9Z)-9-ethylidene-1,4-dimethylphenalene
CID 142353001
2,3-di(ethylidene)tetracene
CID 123900785
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
1-prop-1-enylanthracene
CID 54542061
2-chloro-1-methyl-3-prop-1-enylbenzene
CID 123915318
N-[(E)-2-(2-methylphenyl)ethenyl]naphthalene-2-carboxamide
CID 71501497
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
4,5-dimethylphenanthrene;ethane
CID 143983787
1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene)
CID 144815657
ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene
CID 145348048
ethane;4-ethenyl-5-methylphenanthrene
CID 143984038

Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene (CID 160905157) is (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene is C/C=C\c1ccccc1C.C/C=c1/cc2ccccc2c/c1=C/C.C/C=c1/ccc2cccc3ccc(C)c1c32.C/C=c1/cccc/c1=C/C.
What is the InChIKey of (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is SQASDEVKRLKRGL-ZORQAJSKSA-N. The full InChI is InChI=1S/C16H14.C14H14.2C10H12/c1-3-12-9-10-14-6-4-5-13-8-7-11(2)15(12)16(13)14;1-3-11-9-13-7-5-6-8-14(13)10-12(11)4-2;1-3-6-10-8-5-4-7-9(10)2;1-3-9-7-5-6-8-10(9)4-2/h3-10H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3/b12-3-;11-3-,12-4-;6-3-;9-3-,10-4-.
What are the key properties of (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene?
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 652.97 g/mol, XLogP of 10.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 160905157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).