(1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol

C11H14O — CID 98530685

IUPAC(1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol
SMILESO[C@@]12C[C@H]3[C@H]4C[C@H]5[C@H](C[C@@H]1[C@H]35)[C@H]42
InChIInChI=1S/C11H14O/c12-11-3-7-5-1-4-6(10(5)11)2-8(11)9(4)7/h4-10,12H,1-3H2/t4-,5+,6-,7-,8+,9-,10-,11-/m0/s1
InChIKeyNPYFXTWXHJRJKU-YOUPPHKHSA-N
MW162.23 g/mol
LogP1.27
Rot. Bonds

About (1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol

(1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol (PubChem CID 98530685) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol.

Molecular Properties

Compound Name(1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol
PubChem CID98530685
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol
SMILESO[C@@]12C[C@H]3[C@H]4C[C@H]5[C@H](C[C@@H]1[C@H]35)[C@H]42
InChIInChI=1S/C11H14O/c12-11-3-7-5-1-4-6(10(5)11)2-8(11)9(4)7/h4-10,12H,1-3H2/t4-,5+,6-,7-,8+,9-,10-,11-/m0/s1
InChIKeyNPYFXTWXHJRJKU-YOUPPHKHSA-N
XLogP1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol with MolForge

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Related Compounds

pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol
CID 12841246
[(E)-1-(1-pentacyclo[6.3.0.02,6.03,10.05,9]undecanyl)ethylideneamino]thiourea
CID 6379335
[1-(1-pentacyclo[6.3.0.02,6.03,10.05,9]undecanyl)ethylideneamino]thiourea
CID 4114052
spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane]
CID 91734240
(1R,2R,3R,4S,7S,8S,10R,11R,12R,13R,16R,17S)-4,5,6,7,13,14,15,16,19,19,20,20-dodecachloroheptacyclo[9.6.1.14,7.113,16.02,10.03,8.012,17]icosa-5,14-diene
CID 124935103
(1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane
CID 124732167
methyl (1S,2S,3R,4R,5R,6S,8R,9R,10S,11S,13R,14S)-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane-1-carboxylate
CID 22869683
(1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol
CID 10729106
(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
3-heptacyclo[7.6.0.02,7.03,14.05,12.06,10.011,15]pentadecanyl 3,5-dinitrobenzoate
CID 15350738
(6R,7S,9R,10S,13S,14R,16S,17R)-3-azaoctacyclo[8.7.0.01,5.05,13.06,11.07,9.012,17.014,16]heptadecane
CID 52952468
(6R)-tricyclo[2.2.1.02,6]heptan-1-ol
CID 135045430

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol?
The IUPAC name of (1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol (CID 98530685) is (1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol.
What is the SMILES notation for (1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol?
The canonical SMILES for (1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol is O[C@@]12C[C@H]3[C@H]4C[C@H]5[C@H](C[C@@H]1[C@H]35)[C@H]42.
What is the InChIKey of (1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol?
The InChIKey is NPYFXTWXHJRJKU-YOUPPHKHSA-N. The full InChI is InChI=1S/C11H14O/c12-11-3-7-5-1-4-6(10(5)11)2-8(11)9(4)7/h4-10,12H,1-3H2/t4-,5+,6-,7-,8+,9-,10-,11-/m0/s1.
What are the key properties of (1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol?
(1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol has a molecular weight of 162.23 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol is sourced from PubChem (CID 98530685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).