(2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane

C11H14O — CID 98162235

IUPAC(2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane
SMILESCCOC12C3[C@@H]4C5CC([C@H]41)[C@@H]2[C@@H]53
InChIInChI=1S/C11H14O/c1-2-12-11-8-5-3-4-6(8)10(11)7(4)9(5)11/h4-10H,2-3H2,1H3/t4?,5?,6-,7-,8-,9-,10?,11?/m1/s1
InChIKeyVTEAFGTZEXYUBS-KVCJFUTRSA-N
MW162.23 g/mol
LogP1.53
Rot. Bonds2

About (2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane

(2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane (PubChem CID 98162235) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane.

Molecular Properties

Compound Name(2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane
PubChem CID98162235
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane
SMILESCCOC12C3[C@@H]4C5CC([C@H]41)[C@@H]2[C@@H]53
InChIInChI=1S/C11H14O/c1-2-12-11-8-5-3-4-6(8)10(11)7(4)9(5)11/h4-10H,2-3H2,1H3/t4?,5?,6-,7-,8-,9-,10?,11?/m1/s1
InChIKeyVTEAFGTZEXYUBS-KVCJFUTRSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane with MolForge

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Related Compounds

(2R,3R,6R,7R,9S,10R,13S,14R)-3,4,5,6,10,11,12,13-octachloro-16,16,17,17-tetraethoxyhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadeca-4,11-diene
CID 99653713
4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane
CID 10397012
(1R,2R,4S,6R,7S,9S,11R,12S)-1,2-diethoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 42602354
(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
(8-methyl-8-tetracyclo[4.3.0.02,4.03,7]nonanyl)methanamine
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trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine
CID 102199308
15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene
CID 139711718
1,1-diethoxycyclopropane;sulfane
CID 175457696
3-ethoxy-6-azabicyclo[3.1.1]heptane
CID 169176949
heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol
CID 14762495
1-ethoxy-4-methyladamantane
CID 141189891
[(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane?
The IUPAC name of (2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane (CID 98162235) is (2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane.
What is the SMILES notation for (2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane?
The canonical SMILES for (2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane is CCOC12C3[C@@H]4C5CC([C@H]41)[C@@H]2[C@@H]53.
What is the InChIKey of (2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane?
The InChIKey is VTEAFGTZEXYUBS-KVCJFUTRSA-N. The full InChI is InChI=1S/C11H14O/c1-2-12-11-8-5-3-4-6(8)10(11)7(4)9(5)11/h4-10H,2-3H2,1H3/t4?,5?,6-,7-,8-,9-,10?,11?/m1/s1.
What are the key properties of (2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane?
(2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane has a molecular weight of 162.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane is sourced from PubChem (CID 98162235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).