(2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol

C16H28O4 — CID 10934978

IUPAC(2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
SMILESC=CC[C@@H]1C[C@H](O)C[C@]2(C[C@H](O)[C@H](C)[C@@H](C(C)C)O2)O1
InChIInChI=1S/C16H28O4/c1-5-6-13-7-12(17)8-16(19-13)9-14(18)11(4)15(20-16)10(2)3/h5,10-15,17-18H,1,6-9H2,2-4H3/t11-,12-,13+,14-,15+,16-/m0/s1
InChIKeyFVZDFSDWBHEMKP-KLOLGFOXSA-N
MW284.40 g/mol
LogP2.24
Rot. Bonds3

About (2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol

(2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol (PubChem CID 10934978) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol.

Molecular Properties

Compound Name(2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
PubChem CID10934978
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
SMILESC=CC[C@@H]1C[C@H](O)C[C@]2(C[C@H](O)[C@H](C)[C@@H](C(C)C)O2)O1
InChIInChI=1S/C16H28O4/c1-5-6-13-7-12(17)8-16(19-13)9-14(18)11(4)15(20-16)10(2)3/h5,10-15,17-18H,1,6-9H2,2-4H3/t11-,12-,13+,14-,15+,16-/m0/s1
InChIKeyFVZDFSDWBHEMKP-KLOLGFOXSA-N
XLogP2.24
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
The IUPAC name of (2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol (CID 10934978) is (2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol.
What is the SMILES notation for (2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
The canonical SMILES for (2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol is C=CC[C@@H]1C[C@H](O)C[C@]2(C[C@H](O)[C@H](C)[C@@H](C(C)C)O2)O1.
What is the InChIKey of (2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
The InChIKey is FVZDFSDWBHEMKP-KLOLGFOXSA-N. The full InChI is InChI=1S/C16H28O4/c1-5-6-13-7-12(17)8-16(19-13)9-14(18)11(4)15(20-16)10(2)3/h5,10-15,17-18H,1,6-9H2,2-4H3/t11-,12-,13+,14-,15+,16-/m0/s1.
What are the key properties of (2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol?
(2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol has a molecular weight of 284.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,6S,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecane-4,10-diol is sourced from PubChem (CID 10934978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).