5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine

C22H35N — CID 144617674

IUPAC5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine
SMILESC=C(CCC)/C(=C/C)N1C=C(C)C=C(CCCC(C)CC)C1=C
InChIInChI=1S/C22H35N/c1-8-12-19(6)22(10-3)23-16-18(5)15-21(20(23)7)14-11-13-17(4)9-2/h10,15-17H,6-9,11-14H2,1-5H3/b22-10-
InChIKeyMUTWOHSHPKZOCF-YVNNLAQVSA-N
MW313.53 g/mol
LogP7.12
Rot. Bonds9

About 5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine

5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine (PubChem CID 144617674) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is 5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine.

Molecular Properties

Compound Name5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine
PubChem CID144617674
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine
SMILESC=C(CCC)/C(=C/C)N1C=C(C)C=C(CCCC(C)CC)C1=C
InChIInChI=1S/C22H35N/c1-8-12-19(6)22(10-3)23-16-18(5)15-21(20(23)7)14-11-13-17(4)9-2/h10,15-17H,6-9,11-14H2,1-5H3/b22-10-
InChIKeyMUTWOHSHPKZOCF-YVNNLAQVSA-N
XLogP7.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine?
The IUPAC name of 5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine (CID 144617674) is 5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine.
What is the SMILES notation for 5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine?
The canonical SMILES for 5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine is C=C(CCC)/C(=C/C)N1C=C(C)C=C(CCCC(C)CC)C1=C.
What is the InChIKey of 5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine?
The InChIKey is MUTWOHSHPKZOCF-YVNNLAQVSA-N. The full InChI is InChI=1S/C22H35N/c1-8-12-19(6)22(10-3)23-16-18(5)15-21(20(23)7)14-11-13-17(4)9-2/h10,15-17H,6-9,11-14H2,1-5H3/b22-10-.
What are the key properties of 5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine?
5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine has a molecular weight of 313.53 g/mol, XLogP of 7.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine is sourced from PubChem (CID 144617674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).