(7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane

C18H32O2 — CID 59054980

IUPAC(7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane
SMILESC=CCCC[C@@H](CC)[C@H]1CCCC2(OCCO2)C1(C)C
InChIInChI=1S/C18H32O2/c1-5-7-8-10-15(6-2)16-11-9-12-18(17(16,3)4)19-13-14-20-18/h5,15-16H,1,6-14H2,2-4H3/t15-,16-/m1/s1
InChIKeyJPDDNQVYQUCIBP-HZPDHXFCSA-N
MW280.45 g/mol
LogP4.94
Rot. Bonds6

About (7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane

(7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane (PubChem CID 59054980) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane
PubChem CID59054980
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane
SMILESC=CCCC[C@@H](CC)[C@H]1CCCC2(OCCO2)C1(C)C
InChIInChI=1S/C18H32O2/c1-5-7-8-10-15(6-2)16-11-9-12-18(17(16,3)4)19-13-14-20-18/h5,15-16H,1,6-14H2,2-4H3/t15-,16-/m1/s1
InChIKeyJPDDNQVYQUCIBP-HZPDHXFCSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane (CID 59054980) is (7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane is C=CCCC[C@@H](CC)[C@H]1CCCC2(OCCO2)C1(C)C.
What is the InChIKey of (7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is JPDDNQVYQUCIBP-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H32O2/c1-5-7-8-10-15(6-2)16-11-9-12-18(17(16,3)4)19-13-14-20-18/h5,15-16H,1,6-14H2,2-4H3/t15-,16-/m1/s1.
What are the key properties of (7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane?
(7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 280.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6,6-dimethyl-7-[(3R)-oct-7-en-3-yl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 59054980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).