heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol

C14H16O2 — CID 14762495

IUPACheptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol
SMILESOC12C3C4CC5C3C5C4C3(O)C4C(CC13)C42
InChIInChI=1S/C14H16O2/c15-13-6-2-5-11(13)12(5)14(6,16)10-4-1-3-7(8(3)10)9(4)13/h3-12,15-16H,1-2H2
InChIKeyJHGSOPPPWCJRFC-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.49
Rot. Bonds

About heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol

heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol (PubChem CID 14762495) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol.

Molecular Properties

Compound Nameheptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol
PubChem CID14762495
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameheptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol
SMILESOC12C3C4CC5C3C5C4C3(O)C4C(CC13)C42
InChIInChI=1S/C14H16O2/c15-13-6-2-5-11(13)12(5)14(6,16)10-4-1-3-7(8(3)10)9(4)13/h3-12,15-16H,1-2H2
InChIKeyJHGSOPPPWCJRFC-UHFFFAOYSA-N
XLogP0.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134899170
[(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
(1S,7R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,8,9,9-tetracarbonitrile
CID 134979367
4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane
CID 10397012
(1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
CID 6542091
(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
(1R,2R,3S,5S,6R,8R,9S,10S,11R)-7,7,11-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol
CID 124764298
(1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol
CID 6565918
(1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol
CID 98503863
(1R,2S,3R,5S,6S,7S,8R,9S,10S,11S)-11-bromo-7-methylpentacyclo[6.3.0.02,6.03,10.05,9]undecane-1,7-diol
CID 124925298
pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol
CID 13108252
(1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol
CID 124792530

Frequently Asked Questions

What is the IUPAC name of heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol?
The IUPAC name of heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol (CID 14762495) is heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol.
What is the SMILES notation for heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol?
The canonical SMILES for heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol is OC12C3C4CC5C3C5C4C3(O)C4C(CC13)C42.
What is the InChIKey of heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol?
The InChIKey is JHGSOPPPWCJRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-13-6-2-5-11(13)12(5)14(6,16)10-4-1-3-7(8(3)10)9(4)13/h3-12,15-16H,1-2H2.
What are the key properties of heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol?
heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol has a molecular weight of 216.28 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol is sourced from PubChem (CID 14762495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).