(2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol

C15H26O3 — CID 135046091

IUPAC(2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol
SMILESC=C[C@@H]1C[C@H](O)CC2(CC[C@H](C)[C@@H](C(C)C)O2)O1
InChIInChI=1S/C15H26O3/c1-5-13-8-12(16)9-15(17-13)7-6-11(4)14(18-15)10(2)3/h5,10-14,16H,1,6-9H2,2-4H3/t11-,12-,13+,14+,15?/m0/s1
InChIKeyCDUDMJRLRURVLJ-UUWGUWTESA-N
MW254.37 g/mol
LogP2.88
Rot. Bonds2

About (2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol

(2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol (PubChem CID 135046091) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol.

Molecular Properties

Compound Name(2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol
PubChem CID135046091
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol
SMILESC=C[C@@H]1C[C@H](O)CC2(CC[C@H](C)[C@@H](C(C)C)O2)O1
InChIInChI=1S/C15H26O3/c1-5-13-8-12(16)9-15(17-13)7-6-11(4)14(18-15)10(2)3/h5,10-14,16H,1,6-9H2,2-4H3/t11-,12-,13+,14+,15?/m0/s1
InChIKeyCDUDMJRLRURVLJ-UUWGUWTESA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2S,3S,5R)-6-methoxy-6-(3-methoxypropa-1,2-dienyl)-3,5-dimethyloxan-2-yl]butan-1-ol
CID 10517199
lithium (2S)-2-[(2S,3S,5R)-6-methoxy-6-(3-methoxypropa-1,2-dienyl)-3,5-dimethyloxan-2-yl]butan-1-ol
CID 10637236
(2R,3S,4S,6R,7S)-3,7-dimethyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]non-8-ene-2,4,6-triol
CID 11210991
(2S,3S,4S)-4-[(4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-2-methylpentane-1,3-diol
CID 134844232
(2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol
CID 134854734
(4R,6R)-6-[(4S,5S,6R)-6-ethenyl-5-methyl-1,3-dioxan-4-yl]-8-(methoxymethoxy)-4-methyloct-1-en-3-ol
CID 134937398
(2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane
CID 134968451
(E,2S,3R,4S)-3-methoxy-2,4-dimethyl-6-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]hept-5-en-1-ol
CID 134974664
(E)-3-methoxy-2,4-dimethyl-6-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)hept-5-en-1-ol
CID 134974811
(2R,3S,6R,8R,10S)-2-ethyl-3-methyl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol
CID 135019359
2-Ethenyl-3-methyl-1-oxaspiro[5.5]undecan-10-ol
CID 162415507
2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylhept-6-en-3-ol
CID 67546637

Frequently Asked Questions

What is the IUPAC name of (2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol?
The IUPAC name of (2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol (CID 135046091) is (2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol.
What is the SMILES notation for (2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol?
The canonical SMILES for (2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol is C=C[C@@H]1C[C@H](O)CC2(CC[C@H](C)[C@@H](C(C)C)O2)O1.
What is the InChIKey of (2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol?
The InChIKey is CDUDMJRLRURVLJ-UUWGUWTESA-N. The full InChI is InChI=1S/C15H26O3/c1-5-13-8-12(16)9-15(17-13)7-6-11(4)14(18-15)10(2)3/h5,10-14,16H,1,6-9H2,2-4H3/t11-,12-,13+,14+,15?/m0/s1.
What are the key properties of (2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol?
(2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol has a molecular weight of 254.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol is sourced from PubChem (CID 135046091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).