(1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol

C15H24O2 — CID 10988274

IUPAC(1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol
SMILESCC1(C)CCC[C@@]2(C)[C@@H](O)[C@H]3O[C@@]3(C)[C@@H]3C[C@]312
InChIInChI=1S/C15H24O2/c1-12(2)6-5-7-13(3)10(16)11-14(4,17-11)9-8-15(9,12)13/h9-11,16H,5-8H2,1-4H3/t9-,10-,11+,13-,14-,15-/m0/s1
InChIKeyHLCSLDGZDJOUEF-ZFMHXWJXSA-N
MW236.35 g/mol
LogP2.74
Rot. Bonds

About (1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol

(1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol (PubChem CID 10988274) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol.

Molecular Properties

Compound Name(1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol
PubChem CID10988274
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol
SMILESCC1(C)CCC[C@@]2(C)[C@@H](O)[C@H]3O[C@@]3(C)[C@@H]3C[C@]312
InChIInChI=1S/C15H24O2/c1-12(2)6-5-7-13(3)10(16)11-14(4,17-11)9-8-15(9,12)13/h9-11,16H,5-8H2,1-4H3/t9-,10-,11+,13-,14-,15-/m0/s1
InChIKeyHLCSLDGZDJOUEF-ZFMHXWJXSA-N
XLogP2.74
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol with MolForge

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Related Compounds

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(1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol
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(1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one
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1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol
CID 15051539
(1R,6R,7S,11S)-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 15546633
2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol
CID 534645
(1R,2R,5S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octan-5-ol
CID 126695105
(3aS,9aR,9bS)-3a,5a,6,6,9a-pentamethyl-1,2,4,5,7,8,9,9b-octahydrobenzo[e][1]benzofuran
CID 169186803
(3aR,5aS,9aR,9bR)-3a,5a,6,6,9a-pentamethyl-1,2,4,5,7,8,9,9b-octahydrobenzo[e][1]benzofuran
CID 58426114
(1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
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(4aS,6R,6aS,7aR,8R,10S,11R,11aR,12aR,12bS)-4,4,6a,12b-tetramethyl-9-methylidene-1,2,3,4a,5,6,7a,8,10,11,12,12a-dodecahydronaphtho[2,1-b]chromene-6,8,10,11,11a-pentol
CID 16655649
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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol?
The IUPAC name of (1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol (CID 10988274) is (1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol.
What is the SMILES notation for (1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol?
The canonical SMILES for (1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol is CC1(C)CCC[C@@]2(C)[C@@H](O)[C@H]3O[C@@]3(C)[C@@H]3C[C@]312.
What is the InChIKey of (1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol?
The InChIKey is HLCSLDGZDJOUEF-ZFMHXWJXSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)6-5-7-13(3)10(16)11-14(4,17-11)9-8-15(9,12)13/h9-11,16H,5-8H2,1-4H3/t9-,10-,11+,13-,14-,15-/m0/s1.
What are the key properties of (1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol?
(1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol has a molecular weight of 236.35 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol is sourced from PubChem (CID 10988274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).