(E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol

C12H22O3 — CID 100917328

IUPAC(E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
SMILESCCCC/C=C/C(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H22O3/c1-4-5-6-7-8-10(13)11-9-14-12(2,3)15-11/h7-8,10-11,13H,4-6,9H2,1-3H3/b8-7+/t10?,11-/m1/s1
InChIKeyCIZNIZSFYKXXDY-VQKLYYOLSA-N
MW214.30 g/mol
LogP2.25
Rot. Bonds5

About (E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol

(E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol (PubChem CID 100917328) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
PubChem CID100917328
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
SMILESCCCC/C=C/C(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H22O3/c1-4-5-6-7-8-10(13)11-9-14-12(2,3)15-11/h7-8,10-11,13H,4-6,9H2,1-3H3/b8-7+/t10?,11-/m1/s1
InChIKeyCIZNIZSFYKXXDY-VQKLYYOLSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 129075073
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)prop-2-en-1-ol
CID 59026932
(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol
CID 11166077
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
(E,1S)-1-[(2S,3S)-3-methyloxiran-2-yl]hept-2-en-1-ol
CID 11768991
acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 71435688
1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol
CID 20700280
(E)-hept-2-ene-1,1-diol
CID 87660901

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol?
The IUPAC name of (E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol (CID 100917328) is (E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol.
What is the SMILES notation for (E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol?
The canonical SMILES for (E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol is CCCC/C=C/C(O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol?
The InChIKey is CIZNIZSFYKXXDY-VQKLYYOLSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-5-6-7-8-10(13)11-9-14-12(2,3)15-11/h7-8,10-11,13H,4-6,9H2,1-3H3/b8-7+/t10?,11-/m1/s1.
What are the key properties of (E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol?
(E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol is sourced from PubChem (CID 100917328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).