pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol

C11H14O2 — CID 12841246

IUPACpentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol
SMILESOC12CC3C4CC1(O)C1C4CC3C12
InChIInChI=1S/C11H14O2/c12-10-2-6-4-1-5-7(6)3-11(10,13)9(5)8(4)10/h4-9,12-13H,1-3H2
InChIKeyVFJWXKXBPOYOFZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.38
Rot. Bonds

About pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol

pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol (PubChem CID 12841246) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol.

Molecular Properties

Compound Namepentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol
PubChem CID12841246
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Namepentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol
SMILESOC12CC3C4CC1(O)C1C4CC3C12
InChIInChI=1S/C11H14O2/c12-10-2-6-4-1-5-7(6)3-11(10,13)9(5)8(4)10/h4-9,12-13H,1-3H2
InChIKeyVFJWXKXBPOYOFZ-UHFFFAOYSA-N
XLogP0.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane
CID 163021174
hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane
CID 177393049
(1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol
CID 98530685
11,11-difluoro-3-phenyltetracyclo[6.3.0.02,6.05,9]undecan-3-ol
CID 166435269
heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol
CID 14762495
pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol
CID 13108252
[(1S,2R,3R,4R,6S,7R,8S,9R,10S,12R)-5-(hydroxymethyl)-5-hexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecanyl]methanol
CID 124791229
[(1R,2R,3S,5R,6R,8R,9S,10R,11R,12R)-7-oxo-1-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecanyl] acetate
CID 10538254
dimethyl pentacyclo[4.3.0.02,4.03,8.05,7]nonane-4,5-dicarboxylate
CID 53375881
(1R,2R,3S,5R,6S,7S,8S,9R,10S,11R)-8,11-bis(aminomethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
CID 71535804
3,6,12-trimethyltricyclo[6.2.2.04,9]dodecan-1-ol
CID 143329110
(1S,5R,6R,7S,8S,12R,13R,14S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7,13,14-tetrol
CID 10709798

Frequently Asked Questions

What is the IUPAC name of pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol?
The IUPAC name of pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol (CID 12841246) is pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol.
What is the SMILES notation for pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol?
The canonical SMILES for pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol is OC12CC3C4CC1(O)C1C4CC3C12.
What is the InChIKey of pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol?
The InChIKey is VFJWXKXBPOYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-2-6-4-1-5-7(6)3-11(10,13)9(5)8(4)10/h4-9,12-13H,1-3H2.
What are the key properties of pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol?
pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol has a molecular weight of 178.23 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol is sourced from PubChem (CID 12841246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).