hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane

C14H18 — CID 177393049

IUPAChexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane
SMILESC1CC23CC4C5CC2(C1)C1C5CC4C13
InChIInChI=1S/C14H18/c1-2-13-5-9-7-4-8-10(9)6-14(13,3-1)12(8)11(7)13/h7-12H,1-6H2
InChIKeySEHGCTXZPGNEBU-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.08
Rot. Bonds

About hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane

hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane (PubChem CID 177393049) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane.

Molecular Properties

Compound Namehexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane
PubChem CID177393049
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Namehexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane
SMILESC1CC23CC4C5CC2(C1)C1C5CC4C13
InChIInChI=1S/C14H18/c1-2-13-5-9-7-4-8-10(9)6-14(13,3-1)12(8)11(7)13/h7-12H,1-6H2
InChIKeySEHGCTXZPGNEBU-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane?
The IUPAC name of hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane (CID 177393049) is hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane.
What is the SMILES notation for hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane?
The canonical SMILES for hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane is C1CC23CC4C5CC2(C1)C1C5CC4C13.
What is the InChIKey of hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane?
The InChIKey is SEHGCTXZPGNEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-2-13-5-9-7-4-8-10(9)6-14(13,3-1)12(8)11(7)13/h7-12H,1-6H2.
What are the key properties of hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane?
hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane has a molecular weight of 186.30 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane is sourced from PubChem (CID 177393049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).