cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol

C17H26O3 — CID 11808039

IUPACcis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@H]1CCCC[C@]1(O)C1=CCCCC12OCCO2
InChIInChI=1S/C17H26O3/c1-13(2)14-7-3-5-9-16(14,18)15-8-4-6-10-17(15)19-11-12-20-17/h8,14,18H,1,3-7,9-12H2,2H3/t14-,16-/m1/s1
InChIKeyLSQCERAEAVXDLT-GDBMZVCRSA-N
MW278.39 g/mol
LogP3.34
Rot. Bonds2

About cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol

cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 11808039) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID11808039
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Namecis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@H]1CCCC[C@]1(O)C1=CCCCC12OCCO2
InChIInChI=1S/C17H26O3/c1-13(2)14-7-3-5-9-16(14,18)15-8-4-6-10-17(15)19-11-12-20-17/h8,14,18H,1,3-7,9-12H2,2H3/t14-,16-/m1/s1
InChIKeyLSQCERAEAVXDLT-GDBMZVCRSA-N
XLogP3.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.34
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 cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol (CID 11808039) is cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@H]1CCCC[C@]1(O)C1=CCCCC12OCCO2.
What is the InChIKey of cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is LSQCERAEAVXDLT-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H26O3/c1-13(2)14-7-3-5-9-16(14,18)15-8-4-6-10-17(15)19-11-12-20-17/h8,14,18H,1,3-7,9-12H2,2H3/t14-,16-/m1/s1.
What are the key properties of cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol?
cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-2-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 11808039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).