(3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol

C15H24O — CID 15433333

IUPAC(3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol
SMILESCC1=C2C=C(C(C)C)CC[C@@](C)(O)[C@@H]2CC1
InChIInChI=1S/C15H24O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)13(14)9-12/h9-10,14,16H,5-8H2,1-4H3/t14-,15-/m1/s1
InChIKeyNIUNALSTZWFRAY-HUUCEWRRSA-N
MW220.36 g/mol
LogP3.84
Rot. Bonds1

About (3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol

(3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol (PubChem CID 15433333) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol.

Molecular Properties

Compound Name(3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol
PubChem CID15433333
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol
SMILESCC1=C2C=C(C(C)C)CC[C@@](C)(O)[C@@H]2CC1
InChIInChI=1S/C15H24O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)13(14)9-12/h9-10,14,16H,5-8H2,1-4H3/t14-,15-/m1/s1
InChIKeyNIUNALSTZWFRAY-HUUCEWRRSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 170702889
(1R,3aR,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
CID 162899759
(1S,3aR,8aS)-1,4-dimethyl-7-propan-2-yl-3,3a,6,8a-tetrahydro-2H-azulen-1-ol
CID 10262917
(1R,3aS,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
CID 15934381
(1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol
CID 46881226
(1S,3aS,4R,8aR)-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
CID 162975091
6-methyl-4-propan-2-yl-2,3-dihydropyridine
CID 123604478
4,4-dimethyl-1-propan-2-ylcyclohexene;ethane
CID 169162938
N-[6-(dimethylamino)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
CID 131880142
(3S,3aS,12R,12aR)-3,8,12-trimethyl-5-propan-2-yl-1,2,3a,6,7,10,11,12a-octahydrocyclopenta[11]annulene-3,12-diol
CID 162855353
(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;manganese
CID 11394172
(4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
CID 132544552

Frequently Asked Questions

What is the IUPAC name of (3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol?
The IUPAC name of (3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol (CID 15433333) is (3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol.
What is the SMILES notation for (3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol?
The canonical SMILES for (3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol is CC1=C2C=C(C(C)C)CC[C@@](C)(O)[C@@H]2CC1.
What is the InChIKey of (3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol?
The InChIKey is NIUNALSTZWFRAY-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)13(14)9-12/h9-10,14,16H,5-8H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of (3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol?
(3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol has a molecular weight of 220.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R)-1,4-dimethyl-7-propan-2-yl-3,3a,5,6-tetrahydro-2H-azulen-4-ol is sourced from PubChem (CID 15433333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).