(4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol

C15H24O — CID 15983950

IUPAC(4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol
SMILESCC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)C(O)C1
InChIInChI=1S/C15H24O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7,9,12-14,16H,5-6,8H2,1-4H3/t12-,13-,14?/m0/s1
InChIKeyNOCUZOKOOMNRCW-RFHHWMCGSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds1

About (4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol

(4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol (PubChem CID 15983950) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name(4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol
PubChem CID15983950
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol
SMILESCC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)C(O)C1
InChIInChI=1S/C15H24O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7,9,12-14,16H,5-6,8H2,1-4H3/t12-,13-,14?/m0/s1
InChIKeyNOCUZOKOOMNRCW-RFHHWMCGSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol?
The IUPAC name of (4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol (CID 15983950) is (4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol.
What is the SMILES notation for (4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol?
The canonical SMILES for (4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol is CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)C(O)C1.
What is the InChIKey of (4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol?
The InChIKey is NOCUZOKOOMNRCW-RFHHWMCGSA-N. The full InChI is InChI=1S/C15H24O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7,9,12-14,16H,5-6,8H2,1-4H3/t12-,13-,14?/m0/s1.
What are the key properties of (4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol?
(4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5S)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-1-ol is sourced from PubChem (CID 15983950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).