(5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane

C16H22 — CID 143934505

IUPAC(5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane
SMILESC/C=c1/cc2c(c/c1=C/C)C(C)=CC2.CC
InChIInChI=1S/C14H16.C2H6/c1-4-11-8-13-7-6-10(3)14(13)9-12(11)5-2;1-2/h4-6,8-9H,7H2,1-3H3;1-2H3/b11-4-,12-5-;
InChIKeyMNNNCWNCPWSXJX-JKGQQKPSSA-N
MW214.35 g/mol
LogP3.27
Rot. Bonds

About (5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane

(5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane (PubChem CID 143934505) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is (5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane.

Molecular Properties

Compound Name(5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane
PubChem CID143934505
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name(5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane
SMILESC/C=c1/cc2c(c/c1=C/C)C(C)=CC2.CC
InChIInChI=1S/C14H16.C2H6/c1-4-11-8-13-7-6-10(3)14(13)9-12(11)5-2;1-2/h4-6,8-9H,7H2,1-3H3;1-2H3/b11-4-,12-5-;
InChIKeyMNNNCWNCPWSXJX-JKGQQKPSSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane?
The IUPAC name of (5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane (CID 143934505) is (5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane.
What is the SMILES notation for (5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane?
The canonical SMILES for (5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane is C/C=c1/cc2c(c/c1=C/C)C(C)=CC2.CC.
What is the InChIKey of (5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane?
The InChIKey is MNNNCWNCPWSXJX-JKGQQKPSSA-N. The full InChI is InChI=1S/C14H16.C2H6/c1-4-11-8-13-7-6-10(3)14(13)9-12(11)5-2;1-2/h4-6,8-9H,7H2,1-3H3;1-2H3/b11-4-,12-5-;.
What are the key properties of (5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane?
(5Z,6Z)-5,6-di(ethylidene)-3-methyl-1H-indene;ethane has a molecular weight of 214.35 g/mol, XLogP of 3.27, 0 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)-3-methyl-1H-indene;ethane is sourced from PubChem (CID 143934505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).