3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol

C19H34O3 — CID 89042002

IUPAC3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol
SMILESC=C[C@@H](C)CC[C@@H]1CCCC2(CCC(C)[C@@H](CCCO)O2)O1
InChIInChI=1S/C19H34O3/c1-4-15(2)9-10-17-7-5-12-19(21-17)13-11-16(3)18(22-19)8-6-14-20/h4,15-18,20H,1,5-14H2,2-3H3/t15-,16?,17+,18-,19?/m1/s1
InChIKeyVZAZVJQJHJTESF-QASGIJCMSA-N
MW310.48 g/mol
LogP4.44
Rot. Bonds7

About 3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol

3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol (PubChem CID 89042002) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is 3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol
PubChem CID89042002
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol
SMILESC=C[C@@H](C)CC[C@@H]1CCCC2(CCC(C)[C@@H](CCCO)O2)O1
InChIInChI=1S/C19H34O3/c1-4-15(2)9-10-17-7-5-12-19(21-17)13-11-16(3)18(22-19)8-6-14-20/h4,15-18,20H,1,5-14H2,2-3H3/t15-,16?,17+,18-,19?/m1/s1
InChIKeyVZAZVJQJHJTESF-QASGIJCMSA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.44
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 3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol?
The IUPAC name of 3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol (CID 89042002) is 3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol is C=C[C@@H](C)CC[C@@H]1CCCC2(CCC(C)[C@@H](CCCO)O2)O1.
What is the InChIKey of 3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol?
The InChIKey is VZAZVJQJHJTESF-QASGIJCMSA-N. The full InChI is InChI=1S/C19H34O3/c1-4-15(2)9-10-17-7-5-12-19(21-17)13-11-16(3)18(22-19)8-6-14-20/h4,15-18,20H,1,5-14H2,2-3H3/t15-,16?,17+,18-,19?/m1/s1.
What are the key properties of 3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol?
3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol has a molecular weight of 310.48 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol is sourced from PubChem (CID 89042002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).