butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine

C25H37NO — CID 143129263

IUPACbutane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine
SMILESCC.CCCC.Cc1ccccc1OCC1=CC=CCC1.c1ccncc1
InChIInChI=1S/C14H16O.C5H5N.C4H10.C2H6/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13;1-2-4-6-5-3-1;1-3-4-2;1-2/h2-3,5-8,10H,4,9,11H2,1H3;1-5H;3-4H2,1-2H3;1-2H3
InChIKeyDFXCUVAKYJNEOF-UHFFFAOYSA-N
MW367.58 g/mol
LogP7.56
Rot. Bonds4

About butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine

butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine (PubChem CID 143129263) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine.

Molecular Properties

Compound Namebutane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine
PubChem CID143129263
Molecular FormulaC25H37NO
Molecular Weight367.58 g/mol
Exact Mass367.29
IUPAC Namebutane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine
SMILESCC.CCCC.Cc1ccccc1OCC1=CC=CCC1.c1ccncc1
InChIInChI=1S/C14H16O.C5H5N.C4H10.C2H6/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13;1-2-4-6-5-3-1;1-3-4-2;1-2/h2-3,5-8,10H,4,9,11H2,1H3;1-5H;3-4H2,1-2H3;1-2H3
InChIKeyDFXCUVAKYJNEOF-UHFFFAOYSA-N
XLogP7.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine?
The IUPAC name of butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine (CID 143129263) is butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine.
What is the SMILES notation for butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine?
The canonical SMILES for butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine is CC.CCCC.Cc1ccccc1OCC1=CC=CCC1.c1ccncc1.
What is the InChIKey of butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine?
The InChIKey is DFXCUVAKYJNEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C5H5N.C4H10.C2H6/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13;1-2-4-6-5-3-1;1-3-4-2;1-2/h2-3,5-8,10H,4,9,11H2,1H3;1-5H;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine?
butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine has a molecular weight of 367.58 g/mol, XLogP of 7.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine is sourced from PubChem (CID 143129263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).