(1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol

C15H24O — CID 162937442

IUPAC(1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol
SMILESC=C(C)[C@@H]1CC2=C(CC[C@H]2C)[C@H](C)C[C@@H]1O
InChIInChI=1S/C15H24O/c1-9(2)13-8-14-10(3)5-6-12(14)11(4)7-15(13)16/h10-11,13,15-16H,1,5-8H2,2-4H3/t10-,11-,13+,15+/m1/s1
InChIKeyBRFKQPRYMGBIFJ-ZSEWYUTFSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds1

About (1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol

(1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol (PubChem CID 162937442) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol.

Molecular Properties

Compound Name(1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol
PubChem CID162937442
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol
SMILESC=C(C)[C@@H]1CC2=C(CC[C@H]2C)[C@H](C)C[C@@H]1O
InChIInChI=1S/C15H24O/c1-9(2)13-8-14-10(3)5-6-12(14)11(4)7-15(13)16/h10-11,13,15-16H,1,5-8H2,2-4H3/t10-,11-,13+,15+/m1/s1
InChIKeyBRFKQPRYMGBIFJ-ZSEWYUTFSA-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'}

Analyze (1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol with MolForge

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Related Compounds

(1R,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
CID 124524881
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
5-methylidene-2-prop-1-en-2-ylcyclohexan-1-ol
CID 14867013
2-[(3R,5S,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
CID 53298565
2,6-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one
CID 89031580
(2S,4S,5R)-4-hydroxy-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-one
CID 102285240
(1R,4R)-1,4-dimethyl-7-propan-2-ylidene-1,2,3,4,5,8-hexahydroazulen-6-one
CID 15800986
(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene
CID 167459403
cis-(1R,2R)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 12033954
4,6,10-trimethyl-3-(2-methylcyclobutylidene)-9-propan-2-ylbicyclo[6.2.0]decane
CID 91276732

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol?
The IUPAC name of (1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol (CID 162937442) is (1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol.
What is the SMILES notation for (1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol?
The canonical SMILES for (1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol is C=C(C)[C@@H]1CC2=C(CC[C@H]2C)[C@H](C)C[C@@H]1O.
What is the InChIKey of (1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol?
The InChIKey is BRFKQPRYMGBIFJ-ZSEWYUTFSA-N. The full InChI is InChI=1S/C15H24O/c1-9(2)13-8-14-10(3)5-6-12(14)11(4)7-15(13)16/h10-11,13,15-16H,1,5-8H2,2-4H3/t10-,11-,13+,15+/m1/s1.
What are the key properties of (1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol?
(1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-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 (1R,4R,6S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-6-ol is sourced from PubChem (CID 162937442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).