pentacyclo[5.3.1.12,5.01,8.02,6]dodecane

C12H16 — CID 123567750

IUPACpentacyclo[5.3.1.12,5.01,8.02,6]dodecane
SMILESC1CC23CC1C2C1CC32CCC12
InChIInChI=1S/C12H16/c1-3-12-5-7(1)10(12)8-6-11(12)4-2-9(8)11/h7-10H,1-6H2
InChIKeyAHDARIGWGMOCMR-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.83
Rot. Bonds

About pentacyclo[5.3.1.12,5.01,8.02,6]dodecane

pentacyclo[5.3.1.12,5.01,8.02,6]dodecane (PubChem CID 123567750) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is pentacyclo[5.3.1.12,5.01,8.02,6]dodecane.

Molecular Properties

Compound Namepentacyclo[5.3.1.12,5.01,8.02,6]dodecane
PubChem CID123567750
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Namepentacyclo[5.3.1.12,5.01,8.02,6]dodecane
SMILESC1CC23CC1C2C1CC32CCC12
InChIInChI=1S/C12H16/c1-3-12-5-7(1)10(12)8-6-11(12)4-2-9(8)11/h7-10H,1-6H2
InChIKeyAHDARIGWGMOCMR-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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Related Compounds

octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane
CID 90831088
tricyclo[3.2.1.01,4]octane
CID 90707927
(1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene
CID 98633977
hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane
CID 177393049
tetracyclo[5.2.1.01,5.04,8]decane
CID 123672107
pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane
CID 123331321
8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane
CID 123369397
3-butan-2-yltricyclo[3.2.1.01,4]octane
CID 123794716
tricyclo[3.3.1.01,4]nonane
CID 90787588
[(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol
CID 12644101
1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 12936587
(1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol
CID 130927450

Frequently Asked Questions

What is the IUPAC name of pentacyclo[5.3.1.12,5.01,8.02,6]dodecane?
The IUPAC name of pentacyclo[5.3.1.12,5.01,8.02,6]dodecane (CID 123567750) is pentacyclo[5.3.1.12,5.01,8.02,6]dodecane.
What is the SMILES notation for pentacyclo[5.3.1.12,5.01,8.02,6]dodecane?
The canonical SMILES for pentacyclo[5.3.1.12,5.01,8.02,6]dodecane is C1CC23CC1C2C1CC32CCC12.
What is the InChIKey of pentacyclo[5.3.1.12,5.01,8.02,6]dodecane?
The InChIKey is AHDARIGWGMOCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-3-12-5-7(1)10(12)8-6-11(12)4-2-9(8)11/h7-10H,1-6H2.
What are the key properties of pentacyclo[5.3.1.12,5.01,8.02,6]dodecane?
pentacyclo[5.3.1.12,5.01,8.02,6]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[5.3.1.12,5.01,8.02,6]dodecane is sourced from PubChem (CID 123567750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).