13-methylidenespiro[4.14]nonadecane

C20H36 — CID 163657411

IUPAC13-methylidenespiro[4.14]nonadecane
SMILESC=C1CCCCCCCC2(CCCCCC1)CCCC2
InChIInChI=1S/C20H36/c1-19-13-7-3-2-5-9-15-20(17-11-12-18-20)16-10-6-4-8-14-19/h1-18H2
InChIKeyIRLMDTGXRCNIEK-UHFFFAOYSA-N
MW276.51 g/mol
LogP7.19
Rot. Bonds

About 13-methylidenespiro[4.14]nonadecane

13-methylidenespiro[4.14]nonadecane (PubChem CID 163657411) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 13-methylidenespiro[4.14]nonadecane.

Molecular Properties

Compound Name13-methylidenespiro[4.14]nonadecane
PubChem CID163657411
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name13-methylidenespiro[4.14]nonadecane
SMILESC=C1CCCCCCCC2(CCCCCC1)CCCC2
InChIInChI=1S/C20H36/c1-19-13-7-3-2-5-9-15-20(17-11-12-18-20)16-10-6-4-8-14-19/h1-18H2
InChIKeyIRLMDTGXRCNIEK-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4,4,6,6,8,8-Heptamethyl-1-nonene
CID 545785
Cyclopentane, 1,1,3-trimethyl-3-(2-methyl-2-propenyl)-
CID 3085990
2,3,3-Trimethyloct-1-ene
CID 15084421
6-Methylenespiro[4.5]decane
CID 564762
2-Methylenespiro[4.4]nonane
CID 24977226
1-Methylenespiro[4.4]nonane
CID 565056
(3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane
CID 163674453
1,1,3-Trimethyl-3-(2-methylprop-2-en-1-yl)cyclopentane
CID 550317
Cyclopentane, 1-methyl-1-(2-methyl-2-propenyl)-
CID 579283
Spiro[4.6]undecane, 6-methylene-
CID 10964861
1-Isopropenyl-1-methylcyclopentane
CID 14685112
2,4,4-Trimethyldodec-1-ene
CID 71418665

Frequently Asked Questions

What is the IUPAC name of 13-methylidenespiro[4.14]nonadecane?
The IUPAC name of 13-methylidenespiro[4.14]nonadecane (CID 163657411) is 13-methylidenespiro[4.14]nonadecane.
What is the SMILES notation for 13-methylidenespiro[4.14]nonadecane?
The canonical SMILES for 13-methylidenespiro[4.14]nonadecane is C=C1CCCCCCCC2(CCCCCC1)CCCC2.
What is the InChIKey of 13-methylidenespiro[4.14]nonadecane?
The InChIKey is IRLMDTGXRCNIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-19-13-7-3-2-5-9-15-20(17-11-12-18-20)16-10-6-4-8-14-19/h1-18H2.
What are the key properties of 13-methylidenespiro[4.14]nonadecane?
13-methylidenespiro[4.14]nonadecane has a molecular weight of 276.51 g/mol, XLogP of 7.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methylidenespiro[4.14]nonadecane is sourced from PubChem (CID 163657411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).