4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane

C22H36O5 — CID 158473568

IUPAC4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane
SMILESC1COC2(CCC(OCC3CC3)CC2)O1.O=C1CCC(OCC2CC2)CC1
InChIInChI=1S/C12H20O3.C10H16O2/c1-2-10(1)9-13-11-3-5-12(6-4-11)14-7-8-15-12;11-9-3-5-10(6-4-9)12-7-8-1-2-8/h10-11H,1-9H2;8,10H,1-7H2
InChIKeyHGQOSHVKALZCAQ-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.02
Rot. Bonds6

About 4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane

4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane (PubChem CID 158473568) has the molecular formula C22H36O5 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane
PubChem CID158473568
Molecular FormulaC22H36O5
Molecular Weight380.53 g/mol
Exact Mass380.26
IUPAC Name4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane
SMILESC1COC2(CCC(OCC3CC3)CC2)O1.O=C1CCC(OCC2CC2)CC1
InChIInChI=1S/C12H20O3.C10H16O2/c1-2-10(1)9-13-11-3-5-12(6-4-11)14-7-8-15-12;11-9-3-5-10(6-4-9)12-7-8-1-2-8/h10-11H,1-9H2;8,10H,1-7H2
InChIKeyHGQOSHVKALZCAQ-UHFFFAOYSA-N
XLogP4.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethoxymethoxy)cyclohexan-1-one
CID 106929555
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
4-[(5,5-dimethyloxolan-2-yl)methoxy]cyclohexan-1-one
CID 116521902
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol;4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one
CID 159910413
4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one
CID 20809938
1,4-bis(cyclopropylmethoxy)cyclohexane
CID 147967519
8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane
CID 58749727
4-(3-oxoprop-2-enoxy)cyclohexan-1-one
CID 141286160
3-(oxan-4-ylmethoxy)cyclobutan-1-one
CID 66369304
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine
CID 59444098
8-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane
CID 146397631

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane (CID 158473568) is 4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane is C1COC2(CCC(OCC3CC3)CC2)O1.O=C1CCC(OCC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane?
The InChIKey is HGQOSHVKALZCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3.C10H16O2/c1-2-10(1)9-13-11-3-5-12(6-4-11)14-7-8-15-12;11-9-3-5-10(6-4-9)12-7-8-1-2-8/h10-11H,1-9H2;8,10H,1-7H2.
What are the key properties of 4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane?
4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane has a molecular weight of 380.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 158473568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).