(1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

C10H17ClO — CID 101163939

IUPAC(1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESO[C@H]1CC[C@H](Cl)[C@H]2CCCC[C@@H]21
InChIInChI=1S/C10H17ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h7-10,12H,1-6H2/t7-,8-,9-,10-/m0/s1
InChIKeyZIRCPGQWTRGOFN-XKNYDFJKSA-N
MW188.70 g/mol
LogP2.55
Rot. Bonds

About (1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

(1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (PubChem CID 101163939) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is (1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
PubChem CID101163939
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name(1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESO[C@H]1CC[C@H](Cl)[C@H]2CCCC[C@@H]21
InChIInChI=1S/C10H17ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h7-10,12H,1-6H2/t7-,8-,9-,10-/m0/s1
InChIKeyZIRCPGQWTRGOFN-XKNYDFJKSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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trans-(1S,2S)-2-chlorocyclooctan-1-ol
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CID 39353118
(1R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
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1-chloro-2-cyclopentylcycloheptane
CID 63511633
(1R)-2-cyclohexylcyclohexan-1-ol
CID 130125210
2-cyclooctylcyclohexan-1-ol
CID 22359607
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Frequently Asked Questions

What is the IUPAC name of (1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The IUPAC name of (1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (CID 101163939) is (1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.
What is the SMILES notation for (1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The canonical SMILES for (1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is O[C@H]1CC[C@H](Cl)[C@H]2CCCC[C@@H]21.
What is the InChIKey of (1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The InChIKey is ZIRCPGQWTRGOFN-XKNYDFJKSA-N. The full InChI is InChI=1S/C10H17ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h7-10,12H,1-6H2/t7-,8-,9-,10-/m0/s1.
What are the key properties of (1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
(1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol has a molecular weight of 188.70 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is sourced from PubChem (CID 101163939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).