(1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane

C15H26O3 — CID 158357918

IUPAC(1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane
SMILESCO[C@H]1O[C@@H]2OCCCC3C(C)CC[C@H](C32)[C@H]1C
InChIInChI=1S/C15H26O3/c1-9-6-7-12-10(2)14(16-3)18-15-13(12)11(9)5-4-8-17-15/h9-15H,4-8H2,1-3H3/t9?,10-,11?,12+,13?,14+,15+/m1/s1
InChIKeyMMXMDHUCRDSKDU-VIRCCYPESA-N
MW254.37 g/mol
LogP3.04
Rot. Bonds1

About (1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane

(1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane (PubChem CID 158357918) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane.

Molecular Properties

Compound Name(1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane
PubChem CID158357918
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane
SMILESCO[C@H]1O[C@@H]2OCCCC3C(C)CC[C@H](C32)[C@H]1C
InChIInChI=1S/C15H26O3/c1-9-6-7-12-10(2)14(16-3)18-15-13(12)11(9)5-4-8-17-15/h9-15H,4-8H2,1-3H3/t9?,10-,11?,12+,13?,14+,15+/m1/s1
InChIKeyMMXMDHUCRDSKDU-VIRCCYPESA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane with MolForge

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Related Compounds

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(5S)-4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane
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CID 21137299
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CID 58310489
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2-Ethoxy-5-(4-pentylcyclohexyl)oxane
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Frequently Asked Questions

What is the IUPAC name of (1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
The IUPAC name of (1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane (CID 158357918) is (1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane.
What is the SMILES notation for (1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
The canonical SMILES for (1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane is CO[C@H]1O[C@@H]2OCCCC3C(C)CC[C@H](C32)[C@H]1C.
What is the InChIKey of (1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
The InChIKey is MMXMDHUCRDSKDU-VIRCCYPESA-N. The full InChI is InChI=1S/C15H26O3/c1-9-6-7-12-10(2)14(16-3)18-15-13(12)11(9)5-4-8-17-15/h9-15H,4-8H2,1-3H3/t9?,10-,11?,12+,13?,14+,15+/m1/s1.
What are the key properties of (1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
(1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane has a molecular weight of 254.37 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R,5S)-3-methoxy-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane is sourced from PubChem (CID 158357918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).