8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol

C18H26O3 — CID 145005903

IUPAC8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol
SMILESCCCc1ccc(C2(O)CCCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H26O3/c1-2-4-15-5-7-16(8-6-15)17(19)9-3-10-18(12-11-17)20-13-14-21-18/h5-8,19H,2-4,9-14H2,1H3
InChIKeyBKIDFYYRLIDSKR-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.53
Rot. Bonds3

About 8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol

8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol (PubChem CID 145005903) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol.

Molecular Properties

Compound Name8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol
PubChem CID145005903
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol
SMILESCCCc1ccc(C2(O)CCCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H26O3/c1-2-4-15-5-7-16(8-6-15)17(19)9-3-10-18(12-11-17)20-13-14-21-18/h5-8,19H,2-4,9-14H2,1H3
InChIKeyBKIDFYYRLIDSKR-UHFFFAOYSA-N
XLogP3.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol
CID 65085797
4-(4-propylphenyl)oxepan-4-ol
CID 65080658
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
3-(4-propylphenyl)thietan-3-ol
CID 130914921
2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane
CID 82117470
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
1-[4-(2-methoxyethyl)phenyl]cyclopropan-1-ol
CID 117283102
4-(4-ethylphenyl)oxan-4-ol
CID 63222829

Frequently Asked Questions

What is the IUPAC name of 8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol?
The IUPAC name of 8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol (CID 145005903) is 8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol.
What is the SMILES notation for 8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol?
The canonical SMILES for 8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol is CCCc1ccc(C2(O)CCCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol?
The InChIKey is BKIDFYYRLIDSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-2-4-15-5-7-16(8-6-15)17(19)9-3-10-18(12-11-17)20-13-14-21-18/h5-8,19H,2-4,9-14H2,1H3.
What are the key properties of 8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol?
8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol has a molecular weight of 290.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol is sourced from PubChem (CID 145005903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).