12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one

C14H14O2 — CID 10420787

IUPAC12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one
SMILESO=C1C2C3C4C1C1C2C2C5C(O)C(C32)C4C51
InChIInChI=1S/C14H14O2/c15-13-9-1-2-4-6(9)8-7-5(3(1)11(8)13)10(2)14(16)12(4)7/h1-13,15H
InChIKeyAELBXCLKHXEEEN-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.41
Rot. Bonds

About 12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one

12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one (PubChem CID 10420787) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one.

Molecular Properties

Compound Name12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one
PubChem CID10420787
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one
SMILESO=C1C2C3C4C1C1C2C2C5C(O)C(C32)C4C51
InChIInChI=1S/C14H14O2/c15-13-9-1-2-4-6(9)8-7-5(3(1)11(8)13)10(2)14(16)12(4)7/h1-13,15H
InChIKeyAELBXCLKHXEEEN-UHFFFAOYSA-N
XLogP0.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,3S,4R,5R,7R,9S,11R,12S,15R)-8-hydroxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
CID 124784888
(1S,2R,3R,4S,5R,7R,9S,11R,12S,15R)-8-hydroxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
CID 124784887
cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one
CID 58392006
cis-(4S,6R)-4,5,6-trihydroxycyclohexane-1,2,3-trione
CID 67207406
(1R,2S,4S,8S,10R,11R)-6-oxahexacyclo[7.4.0.02,13.03,11.04,8.010,12]tridecane-5,7-dione
CID 124921392
(1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol
CID 6565918
hexacyclo[6.4.0.02,11.03,7.05,9.010,12]dodecan-4-one
CID 130029183
(4R,5S,6S)-4,5,6-trihydroxy-2-methylcyclohex-2-en-1-one
CID 15894675
(4R,5R,6S)-4,5,6-trihydroxy-2-(113C)methyl(1,3-13C2)cyclohex-2-en-1-one
CID 10678545
4,5,6-trihydroxy-2-methylcyclohex-2-en-1-one
CID 22298139
(3R)-3,6-dihydroxycyclohexane-1,2-dione
CID 123290269
CID 175884329
CID 175884329

Frequently Asked Questions

What is the IUPAC name of 12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one?
The IUPAC name of 12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one (CID 10420787) is 12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one.
What is the SMILES notation for 12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one?
The canonical SMILES for 12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one is O=C1C2C3C4C1C1C2C2C5C(O)C(C32)C4C51.
What is the InChIKey of 12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one?
The InChIKey is AELBXCLKHXEEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-13-9-1-2-4-6(9)8-7-5(3(1)11(8)13)10(2)14(16)12(4)7/h1-13,15H.
What are the key properties of 12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one?
12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one has a molecular weight of 214.26 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxyheptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecan-7-one is sourced from PubChem (CID 10420787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).