(1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane

C18H30O2 — CID 170925457

IUPAC(1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane
SMILESCCC1OC2CC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)C4C2O1
InChIInChI=1S/C18H30O2/c1-6-13-19-12-10-16(2,3)18-8-7-11(9-18)17(4,5)15(18)14(12)20-13/h11-15H,6-10H2,1-5H3/t11-,12?,13?,14?,15?,18-/m0/s1
InChIKeyKVOFYVXLVBHGLQ-PORQETAESA-N
MW278.44 g/mol
LogP4.38
Rot. Bonds1

About (1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane

(1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane (PubChem CID 170925457) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane.

Molecular Properties

Compound Name(1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane
PubChem CID170925457
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane
SMILESCCC1OC2CC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)C4C2O1
InChIInChI=1S/C18H30O2/c1-6-13-19-12-10-16(2,3)18-8-7-11(9-18)17(4,5)15(18)14(12)20-13/h11-15H,6-10H2,1-5H3/t11-,12?,13?,14?,15?,18-/m0/s1
InChIKeyKVOFYVXLVBHGLQ-PORQETAESA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane?
The IUPAC name of (1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane (CID 170925457) is (1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane.
What is the SMILES notation for (1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane?
The canonical SMILES for (1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane is CCC1OC2CC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)C4C2O1.
What is the InChIKey of (1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane?
The InChIKey is KVOFYVXLVBHGLQ-PORQETAESA-N. The full InChI is InChI=1S/C18H30O2/c1-6-13-19-12-10-16(2,3)18-8-7-11(9-18)17(4,5)15(18)14(12)20-13/h11-15H,6-10H2,1-5H3/t11-,12?,13?,14?,15?,18-/m0/s1.
What are the key properties of (1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane?
(1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane has a molecular weight of 278.44 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11S)-6-ethyl-2,2,10,10-tetramethyl-5,7-dioxatetracyclo[9.2.1.01,9.04,8]tetradecane is sourced from PubChem (CID 170925457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).