(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol

C10H18O3 — CID 11063132

IUPAC(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
SMILESCC1(C)OC[C@H](CC/C=C/CO)O1
InChIInChI=1S/C10H18O3/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+/t9-/m0/s1
InChIKeyQVUOFMQMMITWOW-SGRBOOSSSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds4

About (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol

(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol (PubChem CID 11063132) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
PubChem CID11063132
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
SMILESCC1(C)OC[C@H](CC/C=C/CO)O1
InChIInChI=1S/C10H18O3/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+/t9-/m0/s1
InChIKeyQVUOFMQMMITWOW-SGRBOOSSSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
(E)-N-[bis(dimethylamino)phosphoryl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylbut-1-en-1-amine
CID 10947126
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
CID 59269279
CID 59269279
(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine
CID 134934646
4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 16753291
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
(NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine
CID 15252891
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanesulfonic acid
CID 87931343

Frequently Asked Questions

What is the IUPAC name of (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
The IUPAC name of (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol (CID 11063132) is (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol.
What is the SMILES notation for (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
The canonical SMILES for (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol is CC1(C)OC[C@H](CC/C=C/CO)O1.
What is the InChIKey of (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
The InChIKey is QVUOFMQMMITWOW-SGRBOOSSSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+/t9-/m0/s1.
What are the key properties of (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol is sourced from PubChem (CID 11063132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).