(2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one

C15H24O2 — CID 91750135

IUPAC(2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one
SMILESCC1=C2C(=O)[C@](O)(C(C)C)CC[C@@]2(C)CCC1
InChIInChI=1S/C15H24O2/c1-10(2)15(17)9-8-14(4)7-5-6-11(3)12(14)13(15)16/h10,17H,5-9H2,1-4H3/t14-,15-/m1/s1
InChIKeyZANHXCFRKGGJIZ-HUUCEWRRSA-N
MW236.35 g/mol
LogP3.24
Rot. Bonds1

About (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one

(2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one (PubChem CID 91750135) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one.

Molecular Properties

Compound Name(2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one
PubChem CID91750135
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one
SMILESCC1=C2C(=O)[C@](O)(C(C)C)CC[C@@]2(C)CCC1
InChIInChI=1S/C15H24O2/c1-10(2)15(17)9-8-14(4)7-5-6-11(3)12(14)13(15)16/h10,17H,5-9H2,1-4H3/t14-,15-/m1/s1
InChIKeyZANHXCFRKGGJIZ-HUUCEWRRSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one with MolForge

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Related Compounds

7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 5086419
Carissone
CID 11770473
alpha-Carissanol
CID 131751811
Isopterocarpolone
CID 12017635
Lippifoli-1(6)-en-4 beta-ol-5-one
CID 91750064
5-Hydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one
CID 131751098
Tagalsin P
CID 49831499
(4aS,7S),-7-hydroxy-1,4a-dimethyl-7-(prop-1-en-2-yl),-4,4a,5,6,7,8-hexahydronaphthalen-2(3H),-one
CID 57335617
7alpha(H),10beta-eudesm-4-en-3-one-11,12-diol
CID 57402130
Acorusnol
CID 102585858
(4aR,5S)-1-hydroxy-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
CID 52917992
11-Hydroxyvalenc-1(10)-en-2-one
CID 89960876

Frequently Asked Questions

What is the IUPAC name of (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one?
The IUPAC name of (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one (CID 91750135) is (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one.
What is the SMILES notation for (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one?
The canonical SMILES for (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one is CC1=C2C(=O)[C@](O)(C(C)C)CC[C@@]2(C)CCC1.
What is the InChIKey of (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one?
The InChIKey is ZANHXCFRKGGJIZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)15(17)9-8-14(4)7-5-6-11(3)12(14)13(15)16/h10,17H,5-9H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one?
(2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one is sourced from PubChem (CID 91750135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).