1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol

C18H22O — CID 135066584

IUPAC1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol
SMILESOC1(C2C3(C4(CC4)C34CC4)C23C2(CC2)C32CC2)CC1
InChIInChI=1S/C18H22O/c19-12(1-2-12)11-17(13(3-4-13)14(17)5-6-14)18(11)15(7-8-15)16(18)9-10-16/h11,19H,1-10H2
InChIKeyWBSNTLNTKPRVMX-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.26
Rot. Bonds1

About 1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol

1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol (PubChem CID 135066584) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol.

Molecular Properties

Compound Name1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol
PubChem CID135066584
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol
SMILESOC1(C2C3(C4(CC4)C34CC4)C23C2(CC2)C32CC2)CC1
InChIInChI=1S/C18H22O/c19-12(1-2-12)11-17(13(3-4-13)14(17)5-6-14)18(11)15(7-8-15)16(18)9-10-16/h11,19H,1-10H2
InChIKeyWBSNTLNTKPRVMX-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol?
The IUPAC name of 1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol (CID 135066584) is 1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol.
What is the SMILES notation for 1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol?
The canonical SMILES for 1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol is OC1(C2C3(C4(CC4)C34CC4)C23C2(CC2)C32CC2)CC1.
What is the InChIKey of 1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol?
The InChIKey is WBSNTLNTKPRVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c19-12(1-2-12)11-17(13(3-4-13)14(17)5-6-14)18(11)15(7-8-15)16(18)9-10-16/h11,19H,1-10H2.
What are the key properties of 1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol?
1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol is sourced from PubChem (CID 135066584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).