(1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

C18H24O5 — CID 139052568

IUPAC(1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1C[C@@H](O)C(C)=C(C2=COCCO2)[C@@H]1C1=COCCO1
InChIInChI=1S/C18H24O5/c1-11(2)13-8-14(19)12(3)17(15-9-20-4-6-22-15)18(13)16-10-21-5-7-23-16/h9-10,13-14,18-19H,1,4-8H2,2-3H3/t13-,14+,18-/m0/s1
InChIKeyPRYPGKWJPKSKSX-IYOUNJFTSA-N
MW320.39 g/mol
LogP2.65
Rot. Bonds3

About (1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

(1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 139052568) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is (1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID139052568
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name(1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1C[C@@H](O)C(C)=C(C2=COCCO2)[C@@H]1C1=COCCO1
InChIInChI=1S/C18H24O5/c1-11(2)13-8-14(19)12(3)17(15-9-20-4-6-22-15)18(13)16-10-21-5-7-23-16/h9-10,13-14,18-19H,1,4-8H2,2-3H3/t13-,14+,18-/m0/s1
InChIKeyPRYPGKWJPKSKSX-IYOUNJFTSA-N
XLogP2.65
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 139052568) is (1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)[C@@H]1C[C@@H](O)C(C)=C(C2=COCCO2)[C@@H]1C1=COCCO1.
What is the InChIKey of (1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is PRYPGKWJPKSKSX-IYOUNJFTSA-N. The full InChI is InChI=1S/C18H24O5/c1-11(2)13-8-14(19)12(3)17(15-9-20-4-6-22-15)18(13)16-10-21-5-7-23-16/h9-10,13-14,18-19H,1,4-8H2,2-3H3/t13-,14+,18-/m0/s1.
What are the key properties of (1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
(1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 320.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-3,4-bis(2,3-dihydro-1,4-dioxin-5-yl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 139052568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).