(1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane

C11H12O — CID 6976892

IUPAC(1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
SMILESC1[C@@H]2[C@H]3[C@H]4[C@@H]1[C@H]1[C@H]5O[C@@H]([C@H]3[C@@H]54)[C@H]21
InChIInChI=1S/C11H12O/c1-2-4-5-3(1)7-6(2)10-8(4)9(5)11(7)12-10/h2-11H,1H2/t2-,3-,4-,5+,6-,7-,8+,9-,10-,11-/m1/s1
InChIKeyBTLTVYGUMREMCE-OSFOYDBCSA-N
MW160.22 g/mol
LogP1.14
Rot. Bonds

About (1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane

(1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane (PubChem CID 6976892) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane.

Molecular Properties

Compound Name(1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
PubChem CID6976892
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
SMILESC1[C@@H]2[C@H]3[C@H]4[C@@H]1[C@H]1[C@H]5O[C@@H]([C@H]3[C@@H]54)[C@H]21
InChIInChI=1S/C11H12O/c1-2-4-5-3(1)7-6(2)10-8(4)9(5)11(7)12-10/h2-11H,1H2/t2-,3-,4-,5+,6-,7-,8+,9-,10-,11-/m1/s1
InChIKeyBTLTVYGUMREMCE-OSFOYDBCSA-N
XLogP1.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane with MolForge

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Related Compounds

(1R,2R,3S,4R,6S,7R,8S,9R,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
CID 124763737
(6S,13S)-5-methyl-4,12-dioxahexacyclo[7.5.0.02,7.03,6.010,14.011,13]tetradecane
CID 126605387
5,12-dioxaheptacyclo[7.6.1.02,8.03,7.04,6.010,15.011,13]hexadecane
CID 123198267
(1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol
CID 10654283
(4S,6R)-5-oxaheptacyclo[7.6.1.13,7.111,14.02,8.04,6.010,15]octadecane
CID 59904064
(6R)-pentacyclo[5.4.0.02,6.03,5.08,10]undecane
CID 163852923
(1S,2R,3S,4S,6R,7S,9R,11R)-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 15972728
11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene
CID 139828915
5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane
CID 13056304
(3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane
CID 99954925
(1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol
CID 98503863
(3R,5R,6R,7S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonane
CID 98544246

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane?
The IUPAC name of (1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane (CID 6976892) is (1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane.
What is the SMILES notation for (1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane?
The canonical SMILES for (1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane is C1[C@@H]2[C@H]3[C@H]4[C@@H]1[C@H]1[C@H]5O[C@@H]([C@H]3[C@@H]54)[C@H]21.
What is the InChIKey of (1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane?
The InChIKey is BTLTVYGUMREMCE-OSFOYDBCSA-N. The full InChI is InChI=1S/C11H12O/c1-2-4-5-3(1)7-6(2)10-8(4)9(5)11(7)12-10/h2-11H,1H2/t2-,3-,4-,5+,6-,7-,8+,9-,10-,11-/m1/s1.
What are the key properties of (1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane?
(1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane has a molecular weight of 160.22 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane is sourced from PubChem (CID 6976892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).