(Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol

C15H28O3 — CID 58304353

IUPAC(Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol
SMILESCCC[C@@H]1OC(C)(C)O[C@@H]1C(O)/C=C\CC(C)C
InChIInChI=1S/C15H28O3/c1-6-8-13-14(18-15(4,5)17-13)12(16)10-7-9-11(2)3/h7,10-14,16H,6,8-9H2,1-5H3/b10-7-/t12?,13-,14+/m0/s1
InChIKeyALOPVQVJDUIMNJ-LWIPETKNSA-N
MW256.39 g/mol
LogP3.27
Rot. Bonds6

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

(Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol (PubChem CID 58304353) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol
PubChem CID58304353
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol
SMILESCCC[C@@H]1OC(C)(C)O[C@@H]1C(O)/C=C\CC(C)C
InChIInChI=1S/C15H28O3/c1-6-8-13-14(18-15(4,5)17-13)12(16)10-7-9-11(2)3/h7,10-14,16H,6,8-9H2,1-5H3/b10-7-/t12?,13-,14+/m0/s1
InChIKeyALOPVQVJDUIMNJ-LWIPETKNSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.27
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 (Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol?
The IUPAC name of (Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol (CID 58304353) is (Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol.
What is the SMILES notation for (Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol?
The canonical SMILES for (Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol is CCC[C@@H]1OC(C)(C)O[C@@H]1C(O)/C=C\CC(C)C.
What is the InChIKey of (Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol?
The InChIKey is ALOPVQVJDUIMNJ-LWIPETKNSA-N. The full InChI is InChI=1S/C15H28O3/c1-6-8-13-14(18-15(4,5)17-13)12(16)10-7-9-11(2)3/h7,10-14,16H,6,8-9H2,1-5H3/b10-7-/t12?,13-,14+/m0/s1.
What are the key properties of (Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol?
(Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol has a molecular weight of 256.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol is sourced from PubChem (CID 58304353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).