8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane

C16H26O2 — CID 142741582

IUPAC8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane
SMILESCCC1=CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H26O2/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-12-18-16/h3,14-15H,2,4-12H2,1H3
InChIKeyMOMUGNXNHOHHFS-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.06
Rot. Bonds2

About 8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane

8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 142741582) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID142741582
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane
SMILESCCC1=CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H26O2/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-12-18-16/h3,14-15H,2,4-12H2,1H3
InChIKeyMOMUGNXNHOHHFS-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxolane, 2-[6-methyl-8-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-
CID 111418
2-(7-Isopropyl-5-methylbicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane
CID 44152860
1,3-Dioxolane, 2,4-dimethyl-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-
CID 109421
4a'-Methyl-3',4',4a',5',6',7'-hexahydro-1'h-spiro[1,3-dioxolane-2,2'-naphthalene]
CID 270622
(2'R,4'aR,8'aS)-2',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 76764548
(4beta)-1beta,7-(Isopropylidenedioxy)-p-mentha-8-ene
CID 9794331
1,3-Dioxolane, 2-methyl-2-(3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)-
CID 111400
(8S)-8-[2-[(4R)-4-propyl-3-(trifluoromethyl)cyclohexylidene]ethyl]-7-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane
CID 59055187
(8R)-8-[2-[(4S)-4-propyl-3-(trifluoromethyl)cyclohexylidene]ethyl]-7-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane
CID 91220119
8-[4-[(Z)-5,5,5-trifluoropent-2-enyl]cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 132238056
8-[4-[(2E,4Z)-2-fluoro-4-(4-pentylcyclohexyl)hexa-2,4-dienyl]cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 143901361
7'-(3,5-difluorocyclohexyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 145786235

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane (CID 142741582) is 8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane is CCC1=CCC(C2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is MOMUGNXNHOHHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-12-18-16/h3,14-15H,2,4-12H2,1H3.
What are the key properties of 8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane?
8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 250.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylcyclohex-3-en-1-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 142741582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).