2-hexylspiro[2.10]tridecane

C19H36 — CID 20720601

IUPAC2-hexylspiro[2.10]tridecane
SMILESCCCCCCC1CC12CCCCCCCCCC2
InChIInChI=1S/C19H36/c1-2-3-4-11-14-18-17-19(18)15-12-9-7-5-6-8-10-13-16-19/h18H,2-17H2,1H3
InChIKeyPYWWAMYVJURVDQ-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.88
Rot. Bonds5

About 2-hexylspiro[2.10]tridecane

2-hexylspiro[2.10]tridecane (PubChem CID 20720601) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 2-hexylspiro[2.10]tridecane.

Molecular Properties

Compound Name2-hexylspiro[2.10]tridecane
PubChem CID20720601
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name2-hexylspiro[2.10]tridecane
SMILESCCCCCCC1CC12CCCCCCCCCC2
InChIInChI=1S/C19H36/c1-2-3-4-11-14-18-17-19(18)15-12-9-7-5-6-8-10-13-16-19/h18H,2-17H2,1H3
InChIKeyPYWWAMYVJURVDQ-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-1-methyl-2-propylcyclopropane
CID 39066
(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
2,2,4,4,6,6,8-Heptamethylnonane
CID 27137
2,2,3-Trimethyldecane
CID 112483
3,3,4-Trimethyldecane
CID 39499
2,2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)tridecane
CID 137802
2,2,4,15,17,17-Hexamethyl-7,12-bis(3,5,5-trimethylhexyl)octadecane
CID 41453
Octadecane, 9-ethyl-9-heptyl-
CID 298664
2,6,10,14-Tetramethyl-7-(3-methyl-pentyl)-pentadecane
CID 14275206
2,2,3-Trimethylnonane
CID 41461
2,2,4,4,5,5,7,7-Octamethyloctane
CID 78850
Undecane, 5-ethyl-5-propyl-
CID 520323

Frequently Asked Questions

What is the IUPAC name of 2-hexylspiro[2.10]tridecane?
The IUPAC name of 2-hexylspiro[2.10]tridecane (CID 20720601) is 2-hexylspiro[2.10]tridecane.
What is the SMILES notation for 2-hexylspiro[2.10]tridecane?
The canonical SMILES for 2-hexylspiro[2.10]tridecane is CCCCCCC1CC12CCCCCCCCCC2.
What is the InChIKey of 2-hexylspiro[2.10]tridecane?
The InChIKey is PYWWAMYVJURVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-2-3-4-11-14-18-17-19(18)15-12-9-7-5-6-8-10-13-16-19/h18H,2-17H2,1H3.
What are the key properties of 2-hexylspiro[2.10]tridecane?
2-hexylspiro[2.10]tridecane has a molecular weight of 264.50 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylspiro[2.10]tridecane is sourced from PubChem (CID 20720601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).