(4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane

C13H16 — CID 135081738

IUPAC(4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane
SMILESC1CC12C[C@@]21C2(CC2)[C@@]12CC21CC1
InChIInChI=1S/C13H16/c1-2-9(1)7-12(9)11(5-6-11)13(12)8-10(13)3-4-10/h1-8H2/t12-,13-/m0/s1
InChIKeyRVOCYAAURYQFLA-STQMWFEESA-N
MW172.27 g/mol
LogP3.12
Rot. Bonds

About (4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane

(4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane (PubChem CID 135081738) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane.

Molecular Properties

Compound Name(4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane
PubChem CID135081738
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane
SMILESC1CC12C[C@@]21C2(CC2)[C@@]12CC21CC1
InChIInChI=1S/C13H16/c1-2-9(1)7-12(9)11(5-6-11)13(12)8-10(13)3-4-10/h1-8H2/t12-,13-/m0/s1
InChIKeyRVOCYAAURYQFLA-STQMWFEESA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane?
The IUPAC name of (4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane (CID 135081738) is (4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane.
What is the SMILES notation for (4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane?
The canonical SMILES for (4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane is C1CC12C[C@@]21C2(CC2)[C@@]12CC21CC1.
What is the InChIKey of (4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane?
The InChIKey is RVOCYAAURYQFLA-STQMWFEESA-N. The full InChI is InChI=1S/C13H16/c1-2-9(1)7-12(9)11(5-6-11)13(12)8-10(13)3-4-10/h1-8H2/t12-,13-/m0/s1.
What are the key properties of (4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane?
(4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane has a molecular weight of 172.27 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-pentaspiro[2.0.0.0.26.15.0.210.04.13]tridecane is sourced from PubChem (CID 135081738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).