(1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane

C20H36O — CID 90851423

IUPAC(1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane
SMILESC[C@@H]1CCO[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1
InChIInChI=1S/C20H36O/c1-15-7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)21-14-10-15/h15-17H,6-14H2,1-5H3/t15-,16-,17+,19-,20+/m0/s1
InChIKeyLJNXOYDNDCBFME-VBYALHQYSA-N
MW292.51 g/mol
LogP5.82
Rot. Bonds

About (1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane

(1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane (PubChem CID 90851423) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane.

Molecular Properties

Compound Name(1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane
PubChem CID90851423
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane
SMILESC[C@@H]1CCO[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1
InChIInChI=1S/C20H36O/c1-15-7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)21-14-10-15/h15-17H,6-14H2,1-5H3/t15-,16-,17+,19-,20+/m0/s1
InChIKeyLJNXOYDNDCBFME-VBYALHQYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane?
The IUPAC name of (1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane (CID 90851423) is (1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane.
What is the SMILES notation for (1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane?
The canonical SMILES for (1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane is C[C@@H]1CCO[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1.
What is the InChIKey of (1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane?
The InChIKey is LJNXOYDNDCBFME-VBYALHQYSA-N. The full InChI is InChI=1S/C20H36O/c1-15-7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)21-14-10-15/h15-17H,6-14H2,1-5H3/t15-,16-,17+,19-,20+/m0/s1.
What are the key properties of (1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane?
(1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane has a molecular weight of 292.51 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7S,10R,14S)-2,6,6,10,14-pentamethyl-11-oxatricyclo[8.6.0.02,7]hexadecane is sourced from PubChem (CID 90851423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).