1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol

C14H26O — CID 115780854

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
SMILESCCCC(O)C1CCC2CCCCC2C1
InChIInChI=1S/C14H26O/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h11-15H,2-10H2,1H3
InChIKeyMVAIXXMZIUGMDU-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.75
Rot. Bonds3

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol (PubChem CID 115780854) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
PubChem CID115780854
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
SMILESCCCC(O)C1CCC2CCCCC2C1
InChIInChI=1S/C14H26O/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h11-15H,2-10H2,1H3
InChIKeyMVAIXXMZIUGMDU-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol with MolForge

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Related Compounds

(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol
CID 159001079
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine
CID 107893950
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789574
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol
CID 115840546
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)hexylhydrazine
CID 105294571
1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol
CID 126505676
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-one
CID 107891225
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
CID 163605877
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine
CID 115781927

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol (CID 115780854) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol is CCCC(O)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol?
The InChIKey is MVAIXXMZIUGMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h11-15H,2-10H2,1H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol is sourced from PubChem (CID 115780854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).