heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane

C16H20 — CID 123959771

IUPACheptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane
SMILESC1C2CC34CC1C3C1C3C5CC2CC5C3C14
InChIInChI=1S/C16H20/c1-7-4-16-5-8(1)14(16)13-11-9-2-6(7)3-10(9)12(11)15(13)16/h6-15H,1-5H2
InChIKeyWCYOMQZHWMKIIF-UHFFFAOYSA-N
MW212.34 g/mol
LogP3.18
Rot. Bonds

About heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane

heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane (PubChem CID 123959771) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane.

Molecular Properties

Compound Nameheptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane
PubChem CID123959771
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Nameheptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane
SMILESC1C2CC34CC1C3C1C3C5CC2CC5C3C14
InChIInChI=1S/C16H20/c1-7-4-16-5-8(1)14(16)13-11-9-2-6(7)3-10(9)12(11)15(13)16/h6-15H,1-5H2
InChIKeyWCYOMQZHWMKIIF-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane?
The IUPAC name of heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane (CID 123959771) is heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane.
What is the SMILES notation for heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane?
The canonical SMILES for heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane is C1C2CC34CC1C3C1C3C5CC2CC5C3C14.
What is the InChIKey of heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane?
The InChIKey is WCYOMQZHWMKIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-7-4-16-5-8(1)14(16)13-11-9-2-6(7)3-10(9)12(11)15(13)16/h6-15H,1-5H2.
What are the key properties of heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane?
heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane has a molecular weight of 212.34 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[10.3.1.01,11.02,10.03,9.04,8.06,14]hexadecane is sourced from PubChem (CID 123959771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).