(4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene

C10H15ClO — CID 134996049

IUPAC(4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene
SMILESCC1C=C(Cl)[C@H]2CCCC[C@@H]2O1
InChIInChI=1S/C10H15ClO/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h6-8,10H,2-5H2,1H3/t7?,8-,10+/m1/s1
InChIKeyOZGZOSOOKRDABB-VWHDNNRLSA-N
MW186.68 g/mol
LogP3.09
Rot. Bonds

About (4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene

(4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene (PubChem CID 134996049) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is (4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene.

Molecular Properties

Compound Name(4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene
PubChem CID134996049
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name(4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene
SMILESCC1C=C(Cl)[C@H]2CCCC[C@@H]2O1
InChIInChI=1S/C10H15ClO/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h6-8,10H,2-5H2,1H3/t7?,8-,10+/m1/s1
InChIKeyOZGZOSOOKRDABB-VWHDNNRLSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 118441346
ethane;7-oxabicyclo[4.1.0]heptane
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(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
(4aS,6S,6aR,10bS)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 11872593
(4aR,6S,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 25422395
(4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 25422397
(4aS,6R,6aS,10bS)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 11872594
(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
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(6S)-6-iodo-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 89282690
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
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CID 122419523

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene?
The IUPAC name of (4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene (CID 134996049) is (4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene.
What is the SMILES notation for (4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene?
The canonical SMILES for (4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene is CC1C=C(Cl)[C@H]2CCCC[C@@H]2O1.
What is the InChIKey of (4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene?
The InChIKey is OZGZOSOOKRDABB-VWHDNNRLSA-N. The full InChI is InChI=1S/C10H15ClO/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h6-8,10H,2-5H2,1H3/t7?,8-,10+/m1/s1.
What are the key properties of (4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene?
(4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene has a molecular weight of 186.68 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-4-chloro-2-methyl-4a,5,6,7,8,8a-hexahydro-2H-chromene is sourced from PubChem (CID 134996049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).