ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane

C19H37NO — CID 144973587

IUPACethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane
SMILESC=C/C=C1/CCCC/C1=C/C.CC.CCC(C)C.NC=O
InChIInChI=1S/C11H16.C5H12.C2H6.CH3NO/c1-3-7-11-9-6-5-8-10(11)4-2;1-4-5(2)3;1-2;2-1-3/h3-4,7H,1,5-6,8-9H2,2H3;5H,4H2,1-3H3;1-2H3;1H,(H2,2,3)/b10-4-,11-7-;;;
InChIKeyLDJXXMLTBAFARI-CZWQYMDDSA-N
MW295.51 g/mol
LogP5.80
Rot. Bonds2

About ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane

ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane (PubChem CID 144973587) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane.

Molecular Properties

Compound Nameethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane
PubChem CID144973587
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Nameethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane
SMILESC=C/C=C1/CCCC/C1=C/C.CC.CCC(C)C.NC=O
InChIInChI=1S/C11H16.C5H12.C2H6.CH3NO/c1-3-7-11-9-6-5-8-10(11)4-2;1-4-5(2)3;1-2;2-1-3/h3-4,7H,1,5-6,8-9H2,2H3;5H,4H2,1-3H3;1-2H3;1H,(H2,2,3)/b10-4-,11-7-;;;
InChIKeyLDJXXMLTBAFARI-CZWQYMDDSA-N
XLogP5.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane?
The IUPAC name of ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane (CID 144973587) is ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane.
What is the SMILES notation for ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane?
The canonical SMILES for ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane is C=C/C=C1/CCCC/C1=C/C.CC.CCC(C)C.NC=O.
What is the InChIKey of ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane?
The InChIKey is LDJXXMLTBAFARI-CZWQYMDDSA-N. The full InChI is InChI=1S/C11H16.C5H12.C2H6.CH3NO/c1-3-7-11-9-6-5-8-10(11)4-2;1-4-5(2)3;1-2;2-1-3/h3-4,7H,1,5-6,8-9H2,2H3;5H,4H2,1-3H3;1-2H3;1H,(H2,2,3)/b10-4-,11-7-;;;.
What are the key properties of ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane?
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane has a molecular weight of 295.51 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane is sourced from PubChem (CID 144973587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).