pentacyclo[4.4.1.11,6.03,9.04,8]dodecane

C12H16 — CID 123888133

IUPACpentacyclo[4.4.1.11,6.03,9.04,8]dodecane
SMILESC1C2C3CC14CC1(CC2C3C1)C4
InChIInChI=1S/C12H16/c1-7-8-2-11(1)5-12(6-11)3-9(7)10(8)4-12/h7-10H,1-6H2
InChIKeyDGYZFTKCKXKNPX-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.83
Rot. Bonds

About pentacyclo[4.4.1.11,6.03,9.04,8]dodecane

pentacyclo[4.4.1.11,6.03,9.04,8]dodecane (PubChem CID 123888133) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is pentacyclo[4.4.1.11,6.03,9.04,8]dodecane.

Molecular Properties

Compound Namepentacyclo[4.4.1.11,6.03,9.04,8]dodecane
PubChem CID123888133
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Namepentacyclo[4.4.1.11,6.03,9.04,8]dodecane
SMILESC1C2C3CC14CC1(CC2C3C1)C4
InChIInChI=1S/C12H16/c1-7-8-2-11(1)5-12(6-11)3-9(7)10(8)4-12/h7-10H,1-6H2
InChIKeyDGYZFTKCKXKNPX-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[4.4.1.11,6.03,9.04,8]dodecane?
The IUPAC name of pentacyclo[4.4.1.11,6.03,9.04,8]dodecane (CID 123888133) is pentacyclo[4.4.1.11,6.03,9.04,8]dodecane.
What is the SMILES notation for pentacyclo[4.4.1.11,6.03,9.04,8]dodecane?
The canonical SMILES for pentacyclo[4.4.1.11,6.03,9.04,8]dodecane is C1C2C3CC14CC1(CC2C3C1)C4.
What is the InChIKey of pentacyclo[4.4.1.11,6.03,9.04,8]dodecane?
The InChIKey is DGYZFTKCKXKNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-7-8-2-11(1)5-12(6-11)3-9(7)10(8)4-12/h7-10H,1-6H2.
What are the key properties of pentacyclo[4.4.1.11,6.03,9.04,8]dodecane?
pentacyclo[4.4.1.11,6.03,9.04,8]dodecane has a molecular weight of 160.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[4.4.1.11,6.03,9.04,8]dodecane is sourced from PubChem (CID 123888133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).