(1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane

C16H28O — CID 11085796

IUPAC(1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane
SMILESCO[C@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C
InChIInChI=1S/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3/t11-,12+,13-,15-,16+/m1/s1
InChIKeyHRGPYCVTDOECMG-RHBQXOTJSA-N
MW236.40 g/mol
LogP4.26
Rot. Bonds1

About (1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane

(1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane (PubChem CID 11085796) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane.

Molecular Properties

Compound Name(1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane
PubChem CID11085796
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane
SMILESCO[C@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C
InChIInChI=1S/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3/t11-,12+,13-,15-,16+/m1/s1
InChIKeyHRGPYCVTDOECMG-RHBQXOTJSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane with MolForge

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Related Compounds

Cedrol
CID 65575
(+)-Cedrol
CID 6708665
Cedran-8-ol
CID 522667
Cedryl Acetate
CID 13918856
alpha-Cedrene epoxide
CID 122510
1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, [3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-
CID 6432709
(1R,2R,5R,7S,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
CID 7285502
(3R,3aS,6R,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol
CID 12302603
Cedrol formate
CID 162002
(2R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
CID 134768265
(1R,5R,7S,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
CID 129317541
(+)-Cedrol;alpha-Cedrol
CID 146159717

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane?
The IUPAC name of (1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane (CID 11085796) is (1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane.
What is the SMILES notation for (1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane?
The canonical SMILES for (1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane is CO[C@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C.
What is the InChIKey of (1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane?
The InChIKey is HRGPYCVTDOECMG-RHBQXOTJSA-N. The full InChI is InChI=1S/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3/t11-,12+,13-,15-,16+/m1/s1.
What are the key properties of (1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane?
(1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane has a molecular weight of 236.40 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane is sourced from PubChem (CID 11085796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).