(1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol

C15H26O — CID 3082861

IUPAC(1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol
SMILESCC1(C)C[C@@]2(O)[C@]3(C)CCC[C@@]2(C)[C@H]1CC3
InChIInChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15+/m0/s1
InChIKeyQOXUIQMPPDIDGM-PMOUVXMZSA-N
MW222.37 g/mol
LogP3.75
Rot. Bonds

About (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol

(1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol (PubChem CID 3082861) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol.

Molecular Properties

Compound Name(1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol
PubChem CID3082861
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol
SMILESCC1(C)C[C@@]2(O)[C@]3(C)CCC[C@@]2(C)[C@H]1CC3
InChIInChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15+/m0/s1
InChIKeyQOXUIQMPPDIDGM-PMOUVXMZSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol?
The IUPAC name of (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol (CID 3082861) is (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol.
What is the SMILES notation for (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol?
The canonical SMILES for (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol is CC1(C)C[C@@]2(O)[C@]3(C)CCC[C@@]2(C)[C@H]1CC3.
What is the InChIKey of (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol?
The InChIKey is QOXUIQMPPDIDGM-PMOUVXMZSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15+/m0/s1.
What are the key properties of (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol?
(1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol has a molecular weight of 222.37 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7R,8S)-1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol is sourced from PubChem (CID 3082861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).