(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol

C16H30O3 — CID 11369254

IUPAC(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol
SMILESC=C[C@H](C)[C@H](O)C[C@@H]1OC(C)(C)O[C@H](C(C)C)[C@H]1C
InChIInChI=1S/C16H30O3/c1-8-11(4)13(17)9-14-12(5)15(10(2)3)19-16(6,7)18-14/h8,10-15,17H,1,9H2,2-7H3/t11-,12-,13+,14-,15+/m0/s1
InChIKeyGLTPZKYLIPDPHN-SBJFKYEJSA-N
MW270.41 g/mol
LogP3.37
Rot. Bonds5

About (2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol

(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol (PubChem CID 11369254) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol
PubChem CID11369254
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol
SMILESC=C[C@H](C)[C@H](O)C[C@@H]1OC(C)(C)O[C@H](C(C)C)[C@H]1C
InChIInChI=1S/C16H30O3/c1-8-11(4)13(17)9-14-12(5)15(10(2)3)19-16(6,7)18-14/h8,10-15,17H,1,9H2,2-7H3/t11-,12-,13+,14-,15+/m0/s1
InChIKeyGLTPZKYLIPDPHN-SBJFKYEJSA-N
XLogP3.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.37
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)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol?
The IUPAC name of (2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol (CID 11369254) is (2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol.
What is the SMILES notation for (2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol?
The canonical SMILES for (2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol is C=C[C@H](C)[C@H](O)C[C@@H]1OC(C)(C)O[C@H](C(C)C)[C@H]1C.
What is the InChIKey of (2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol?
The InChIKey is GLTPZKYLIPDPHN-SBJFKYEJSA-N. The full InChI is InChI=1S/C16H30O3/c1-8-11(4)13(17)9-14-12(5)15(10(2)3)19-16(6,7)18-14/h8,10-15,17H,1,9H2,2-7H3/t11-,12-,13+,14-,15+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol?
(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol has a molecular weight of 270.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-ol is sourced from PubChem (CID 11369254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).