2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol

C17H30O — CID 70032961

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol
SMILESCC(C)(O)C1CCCC2CC3CCCCC3CC21
InChIInChI=1S/C17H30O/c1-17(2,18)16-9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)16/h12-16,18H,3-11H2,1-2H3
InChIKeyCKSWWXWWDASGCY-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.39
Rot. Bonds1

About 2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol

2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol (PubChem CID 70032961) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol
PubChem CID70032961
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol
SMILESCC(C)(O)C1CCCC2CC3CCCCC3CC21
InChIInChI=1S/C17H30O/c1-17(2,18)16-9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)16/h12-16,18H,3-11H2,1-2H3
InChIKeyCKSWWXWWDASGCY-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol (CID 70032961) is 2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol is CC(C)(O)C1CCCC2CC3CCCCC3CC21.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol?
The InChIKey is CKSWWXWWDASGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-17(2,18)16-9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)16/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol?
2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol has a molecular weight of 250.43 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol is sourced from PubChem (CID 70032961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).