4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol

C16H30O — CID 167163788

IUPAC4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol
SMILESCC(CCCO)C1C[C@@]2(C)[C@H](C)[C@]2(C)C1(C)C
InChIInChI=1S/C16H30O/c1-11(8-7-9-17)13-10-15(5)12(2)16(15,6)14(13,3)4/h11-13,17H,7-10H2,1-6H3/t11?,12-,13?,15-,16+/m0/s1
InChIKeyTVSXYWFPPBSOBO-SVJHHLCESA-N
MW238.41 g/mol
LogP4.10
Rot. Bonds4

About 4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol

4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol (PubChem CID 167163788) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol.

Molecular Properties

Compound Name4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol
PubChem CID167163788
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol
SMILESCC(CCCO)C1C[C@@]2(C)[C@H](C)[C@]2(C)C1(C)C
InChIInChI=1S/C16H30O/c1-11(8-7-9-17)13-10-15(5)12(2)16(15,6)14(13,3)4/h11-13,17H,7-10H2,1-6H3/t11?,12-,13?,15-,16+/m0/s1
InChIKeyTVSXYWFPPBSOBO-SVJHHLCESA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol?
The IUPAC name of 4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol (CID 167163788) is 4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol.
What is the SMILES notation for 4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol?
The canonical SMILES for 4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol is CC(CCCO)C1C[C@@]2(C)[C@H](C)[C@]2(C)C1(C)C.
What is the InChIKey of 4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol?
The InChIKey is TVSXYWFPPBSOBO-SVJHHLCESA-N. The full InChI is InChI=1S/C16H30O/c1-11(8-7-9-17)13-10-15(5)12(2)16(15,6)14(13,3)4/h11-13,17H,7-10H2,1-6H3/t11?,12-,13?,15-,16+/m0/s1.
What are the key properties of 4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol?
4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol is sourced from PubChem (CID 167163788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).