(2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol

C15H26O3 — CID 135019359

IUPAC(2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol
SMILESC=CC[C@@H]1C[C@H](O)C[C@]2(CC[C@H](C)[C@@H](CC)O2)O1
InChIInChI=1S/C15H26O3/c1-4-6-13-9-12(16)10-15(17-13)8-7-11(3)14(5-2)18-15/h4,11-14,16H,1,5-10H2,2-3H3/t11-,12-,13+,14+,15+/m0/s1
InChIKeySGGVAZSVAGQKSR-VQJWOFKYSA-N
MW254.37 g/mol
LogP3.02
Rot. Bonds3

About (2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol

(2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol (PubChem CID 135019359) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol.

Molecular Properties

Compound Name(2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol
PubChem CID135019359
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol
SMILESC=CC[C@@H]1C[C@H](O)C[C@]2(CC[C@H](C)[C@@H](CC)O2)O1
InChIInChI=1S/C15H26O3/c1-4-6-13-9-12(16)10-15(17-13)8-7-11(3)14(5-2)18-15/h4,11-14,16H,1,5-10H2,2-3H3/t11-,12-,13+,14+,15+/m0/s1
InChIKeySGGVAZSVAGQKSR-VQJWOFKYSA-N
XLogP3.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol?
The IUPAC name of (2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol (CID 135019359) is (2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol.
What is the SMILES notation for (2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol?
The canonical SMILES for (2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol is C=CC[C@@H]1C[C@H](O)C[C@]2(CC[C@H](C)[C@@H](CC)O2)O1.
What is the InChIKey of (2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol?
The InChIKey is SGGVAZSVAGQKSR-VQJWOFKYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-6-13-9-12(16)10-15(17-13)8-7-11(3)14(5-2)18-15/h4,11-14,16H,1,5-10H2,2-3H3/t11-,12-,13+,14+,15+/m0/s1.
What are the key properties of (2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol?
(2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol has a molecular weight of 254.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol is sourced from PubChem (CID 135019359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).