(Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol

C20H38O5 — CID 11451204

IUPAC(Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol
SMILESCCOC(C)O[C@@H](C/C=C\CCC[C@H](C)[C@@H]1COC(C)(C)O1)[C@@H](C)O
InChIInChI=1S/C20H38O5/c1-7-22-17(4)24-18(16(3)21)13-11-9-8-10-12-15(2)19-14-23-20(5,6)25-19/h9,11,15-19,21H,7-8,10,12-14H2,1-6H3/b11-9-/t15-,16+,17?,18-,19-/m0/s1
InChIKeyVOBURVHHRNKBLF-QYQDYALUSA-N
MW358.52 g/mol
LogP4.04
Rot. Bonds12

About (Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol

(Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol (PubChem CID 11451204) has the molecular formula C20H38O5 and a molecular weight of 358.52 g/mol. Its IUPAC name is (Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol.

Molecular Properties

Compound Name(Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol
PubChem CID11451204
Molecular FormulaC20H38O5
Molecular Weight358.52 g/mol
Exact Mass358.27
IUPAC Name(Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol
SMILESCCOC(C)O[C@@H](C/C=C\CCC[C@H](C)[C@@H]1COC(C)(C)O1)[C@@H](C)O
InChIInChI=1S/C20H38O5/c1-7-22-17(4)24-18(16(3)21)13-11-9-8-10-12-15(2)19-14-23-20(5,6)25-19/h9,11,15-19,21H,7-8,10,12-14H2,1-6H3/b11-9-/t15-,16+,17?,18-,19-/m0/s1
InChIKeyVOBURVHHRNKBLF-QYQDYALUSA-N
XLogP4.04
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol?
The IUPAC name of (Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol (CID 11451204) is (Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol.
What is the SMILES notation for (Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol?
The canonical SMILES for (Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol is CCOC(C)O[C@@H](C/C=C\CCC[C@H](C)[C@@H]1COC(C)(C)O1)[C@@H](C)O.
What is the InChIKey of (Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol?
The InChIKey is VOBURVHHRNKBLF-QYQDYALUSA-N. The full InChI is InChI=1S/C20H38O5/c1-7-22-17(4)24-18(16(3)21)13-11-9-8-10-12-15(2)19-14-23-20(5,6)25-19/h9,11,15-19,21H,7-8,10,12-14H2,1-6H3/b11-9-/t15-,16+,17?,18-,19-/m0/s1.
What are the key properties of (Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol?
(Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol has a molecular weight of 358.52 g/mol, XLogP of 4.04, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)undec-5-en-2-ol is sourced from PubChem (CID 11451204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).