(4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane

C17H30O2 — CID 10967466

IUPAC(4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1CCCCCCCCCC
InChIInChI=1S/C17H30O2/c1-5-7-8-9-10-11-12-13-14-16-15(6-2)18-17(3,4)19-16/h2,15-16H,5,7-14H2,1,3-4H3/t15-,16-/m1/s1
InChIKeyMKOHFEDNWWZNMN-HZPDHXFCSA-N
MW266.42 g/mol
LogP4.67
Rot. Bonds9

About (4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 10967466) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane
PubChem CID10967466
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1CCCCCCCCCC
InChIInChI=1S/C17H30O2/c1-5-7-8-9-10-11-12-13-14-16-15(6-2)18-17(3,4)19-16/h2,15-16H,5,7-14H2,1,3-4H3/t15-,16-/m1/s1
InChIKeyMKOHFEDNWWZNMN-HZPDHXFCSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane with MolForge

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Related Compounds

2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
CID 91277761
(1R)-1-[(4R,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-yn-1-ol
CID 53230771
(4R,5S)-4-(chloromethyl)-5-dodecyl-2,2-dimethyl-1,3-dioxolane
CID 11782144
methyl 4-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 155291401
(4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11020214
(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butan-1-ol
CID 58962259
(4S,5R)-2,2-dimethyl-5-pentyl-1,3-dioxolane-4-carbaldehyde
CID 14238905
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
(4S,5S)-4-azido-2,2-dimethyl-5-tetradecyl-1,3-dioxolane
CID 50899967
(4R,5S)-4-[5-(1,3-dithian-2-yl)pentyl]-2,2-dimethyl-5-octyl-1,3-dioxolane
CID 11761237
(E)-3-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 71812938

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane (CID 10967466) is (4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane is C#C[C@H]1OC(C)(C)O[C@@H]1CCCCCCCCCC.
What is the InChIKey of (4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is MKOHFEDNWWZNMN-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H30O2/c1-5-7-8-9-10-11-12-13-14-16-15(6-2)18-17(3,4)19-16/h2,15-16H,5,7-14H2,1,3-4H3/t15-,16-/m1/s1.
What are the key properties of (4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 266.42 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10967466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).