1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol

C18H26O3 — CID 74961702

IUPAC1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol
SMILESC=CCCC(O)C1CC2C=CC1(CC=C)C1(C2)OCCO1
InChIInChI=1S/C18H26O3/c1-3-5-6-16(19)15-12-14-7-9-17(15,8-4-2)18(13-14)20-10-11-21-18/h3-4,7,9,14-16,19H,1-2,5-6,8,10-13H2
InChIKeyBGUGMVJDZZNQIV-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.22
Rot. Bonds6

About 1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol

1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol (PubChem CID 74961702) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol
PubChem CID74961702
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol
SMILESC=CCCC(O)C1CC2C=CC1(CC=C)C1(C2)OCCO1
InChIInChI=1S/C18H26O3/c1-3-5-6-16(19)15-12-14-7-9-17(15,8-4-2)18(13-14)20-10-11-21-18/h3-4,7,9,14-16,19H,1-2,5-6,8,10-13H2
InChIKeyBGUGMVJDZZNQIV-UHFFFAOYSA-N
XLogP3.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.22
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 1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol?
The IUPAC name of 1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol (CID 74961702) is 1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol.
What is the SMILES notation for 1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol?
The canonical SMILES for 1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol is C=CCCC(O)C1CC2C=CC1(CC=C)C1(C2)OCCO1.
What is the InChIKey of 1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol?
The InChIKey is BGUGMVJDZZNQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-3-5-6-16(19)15-12-14-7-9-17(15,8-4-2)18(13-14)20-10-11-21-18/h3-4,7,9,14-16,19H,1-2,5-6,8,10-13H2.
What are the key properties of 1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol?
1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol has a molecular weight of 290.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-prop-2-enylspiro[1,3-dioxolane-2,7'-bicyclo[2.2.2]oct-5-ene]-2'-yl)pent-4-en-1-ol is sourced from PubChem (CID 74961702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).