(2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane

C37H62 — CID 141395020

IUPAC(2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane
SMILESCC(=C1CCCCCCCCC1)/C(C)=C1\CC2(CCCCCCCCC2)C1=C1CCCCCCCCC1
InChIInChI=1S/C37H62/c1-31(33-24-18-12-6-3-7-13-19-25-33)32(2)35-30-37(28-22-16-10-5-11-17-23-29-37)36(35)34-26-20-14-8-4-9-15-21-27-34/h3-30H2,1-2H3/b35-32+
InChIKeyMXICARMZODKPEQ-LVYIWIAJSA-N
MW506.90 g/mol
LogP12.88
Rot. Bonds1

About (2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane

(2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane (PubChem CID 141395020) has the molecular formula C37H62 and a molecular weight of 506.90 g/mol. Its IUPAC name is (2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane.

Molecular Properties

Compound Name(2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane
PubChem CID141395020
Molecular FormulaC37H62
Molecular Weight506.90 g/mol
Exact Mass506.49
IUPAC Name(2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane
SMILESCC(=C1CCCCCCCCC1)/C(C)=C1\CC2(CCCCCCCCC2)C1=C1CCCCCCCCC1
InChIInChI=1S/C37H62/c1-31(33-24-18-12-6-3-7-13-19-25-33)32(2)35-30-37(28-22-16-10-5-11-17-23-29-37)36(35)34-26-20-14-8-4-9-15-21-27-34/h3-30H2,1-2H3/b35-32+
InChIKeyMXICARMZODKPEQ-LVYIWIAJSA-N
XLogP12.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.90
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane?
The IUPAC name of (2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane (CID 141395020) is (2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane.
What is the SMILES notation for (2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane?
The canonical SMILES for (2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane is CC(=C1CCCCCCCCC1)/C(C)=C1\CC2(CCCCCCCCC2)C1=C1CCCCCCCCC1.
What is the InChIKey of (2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane?
The InChIKey is MXICARMZODKPEQ-LVYIWIAJSA-N. The full InChI is InChI=1S/C37H62/c1-31(33-24-18-12-6-3-7-13-19-25-33)32(2)35-30-37(28-22-16-10-5-11-17-23-29-37)36(35)34-26-20-14-8-4-9-15-21-27-34/h3-30H2,1-2H3/b35-32+.
What are the key properties of (2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane?
(2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane has a molecular weight of 506.90 g/mol, XLogP of 12.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane is sourced from PubChem (CID 141395020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).