(1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol

C15H24O2 — CID 68953637

IUPAC(1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol
SMILESCC1(C)CC2OC[C@]34CC[C@@H]1[C@]2(CCC3O)C4
InChIInChI=1S/C15H24O2/c1-13(2)7-12-15-6-4-11(16)14(8-15,9-17-12)5-3-10(13)15/h10-12,16H,3-9H2,1-2H3/t10-,11?,12?,14+,15-/m0/s1
InChIKeyUOAAKLKMXBOYCB-QUGNMKPDSA-N
MW236.35 g/mol
LogP2.74
Rot. Bonds

About (1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol

(1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol (PubChem CID 68953637) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol.

Molecular Properties

Compound Name(1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol
PubChem CID68953637
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol
SMILESCC1(C)CC2OC[C@]34CC[C@@H]1[C@]2(CCC3O)C4
InChIInChI=1S/C15H24O2/c1-13(2)7-12-15-6-4-11(16)14(8-15,9-17-12)5-3-10(13)15/h10-12,16H,3-9H2,1-2H3/t10-,11?,12?,14+,15-/m0/s1
InChIKeyUOAAKLKMXBOYCB-QUGNMKPDSA-N
XLogP2.74
TPSA29.46 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

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Frequently Asked Questions

What is the IUPAC name of (1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol?
The IUPAC name of (1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol (CID 68953637) is (1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol.
What is the SMILES notation for (1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol?
The canonical SMILES for (1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol is CC1(C)CC2OC[C@]34CC[C@@H]1[C@]2(CCC3O)C4.
What is the InChIKey of (1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol?
The InChIKey is UOAAKLKMXBOYCB-QUGNMKPDSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)7-12-15-6-4-11(16)14(8-15,9-17-12)5-3-10(13)15/h10-12,16H,3-9H2,1-2H3/t10-,11?,12?,14+,15-/m0/s1.
What are the key properties of (1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol?
(1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-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 (1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol is sourced from PubChem (CID 68953637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).